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Home> Hot Product Listed F   > F0651-0287
53818-10-3 structure

F0651-0287

Iupac Name:2-[3-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CAS No.:53818-10-3
Molecular Weight:387.868
Molecular Formula:C26H29CLN2O2 (isomer)
Names and Identifiers
Synonyms

2,4-dimethoxy-n-((2,3,4,9-tetrahydro-1h-carbazol-6-yl)methyl)benzamide 2,4-dimethoxy-n-(6,7,8,9-tetrahydro-5h-carbazol-3-ylmethyl)benzamide AC1N99QR AKOS024592039 MCULE-6620890905 MOLPORT-003-040-081 sr-01000907514 SR-01000907514-1 ZINC4138197

Inchi
InChI=1S/C19H22ClN5O2/c20-16-14-15(5-6-17(16)26)23-12-10-22(11-13-23)7-3-9-25-19(27)24-8-2-1-4-18(24)21-25/h1-2,4-6,8,14,26H,3,7,9-13H2
InChkey
FNUZSRSXQFIOPL-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=C(C=C4)O)Cl
Properties
Melting Point
147-149°C
Refractive Index
1.686
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:387.868g/mol
  • Molecular Formula:C26H29CLN2O2
  • Compound Is Canonicalized:True
  • Exact Mass:387.146
  • Monoisotopic Mass:387.146
  • Complexity:644
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:62.6A^2
  • Heavy Atom Count:27
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceB7sAAEAAAAAAAAAAAAAAAAAQAAAAA8QIAAAAAAAEABAAAAHgIICAAACA7BkCQxxoMAAgCo ACZmcACSAAAhJ0AfiAAeb5iIZiLD05OUcAhszhPI2AewQAAAAEAAAAIACAAAgAAABAAQAAAAAAAA AA==
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