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Home> Hot Product Listed M   > MOLPORT-007-870-273
111908-95-3 structure

MOLPORT-007-870-273

Iupac Name:2-(4-methoxyphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CAS No.:111908-95-3
Molecular Weight:291.354
Molecular Formula:C20H19F2N3O3 (isomer)
Names and Identifiers
Synonyms

4-((2-((2-(benzylamino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4h)-yl)methyl)-n-cyclopentylbenzamide 4-{[2-{[2-(benzylamino)-2-oxoethyl]thio}-4-oxoquinazolin-3(4h)-yl]methyl}-n-cyclopentylbenzamide AKOS002060014 F3222-1358 MCULE-4991357957 ZINC33058655

Inchi
InChI=1S/C18H17N3O/c1-22-15-6-4-13(5-7-15)17-18(14-8-10-19-11-9-14)21-12-2-3-16(21)20-17/h4-11H,2-3,12H2,1H3
InChkey
UIJWMSUSZQORDJ-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=C(C=C1)C2=C(N3CCCC3=N2)C4=CC=NC=C4
Properties
Vapour
2.93E-09mmHg at 25°C
Refractive Index
1.661
Computational chemical data
  • Molecular Weight:291.354g/mol
  • Molecular Formula:C20H19F2N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:291.137
  • Monoisotopic Mass:291.137
  • Complexity:363
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:22
  • 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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