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Z803784992 structure

Z803784992 structure

Z803784992

Iupac Name：5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide

CAS No.：885692-52-4

Molecular Weight：460.6

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1. Names and Identifiers

1.1 Name: Z803784992
1.2 Synonyms: 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-(pyrrolidine-1-carbonyl)piperidine MCULE-2570842534 MOLPORT-020-123-076 ZINC53027743

1.3 CAS No.: 885692-52-4

1.4 CID: 11676971

1.5 Molecular Formula: C₇H₃BrFNS (isomer)

1.6 Inchi: InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34)

1.7 InChkey: GUBJNPWVIUFSTR-UHFFFAOYSA-N

1.8 Canonical Smiles: CN(C)CC(=O)N1CCC(CC1)C2=CC(=C(C=C2)NC(=O)C3=NC=C(N3)C#N)C4=CCCCC4

1.9 Isomers Smiles: CN(C)CC(=O)N1CCC(CC1)C2=CC(=C(C=C2)NC(=O)C3=NC=C(N3)C#N)C4=CCCCC4

2. Properties

3.1 Precise Quality: 460.25900

3.1 PSA: 105.12000

3.1 logP: 3.76958

3. Computational chemical data

Molecular Weight：460.6g/mol
Molecular Formula：C_₇H_₃BrFNS
Compound Is Canonicalized：True
XLogP3-AA：3.1
Exact Mass：460.25867428
Monoisotopic Mass：460.25867428
Complexity：809
Rotatable Bond Count：6
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：105
Heavy Atom Count：34
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1

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JNJ-28312141 cas 885692-52-4

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Shanghai Haoyuan Chemexpress Co., Ltd

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1H-Imidazole-2-carboxamide, 4-cyano-N-[2-(1-cyclohexen-1-yl)-4-[1-[(dimethylamino)acetyl]-4-piperid inyl]phenyl]-

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5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide

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shanghai join bio-pharmaceutical co., ltd Manufacturer

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5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide

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Beijing Anbiqi Biotechnology Co., Ltd. Manufacturer

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5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide

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Directory

1. Names and Identifiers

1.5 Molecular Formula

1.8 Canonical Smiles

1.9 Isomers Smiles

2. Properties

3.1 Precise Quality

3.Computational chemical data

4.Recommended Suppliers