Basic information
- CAS
50691-94-6- Standard SMILES
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1Cc1c[nH]c2ccccc12- InChIKey
OAAIQFQHSUFGKD-QFIPXVFZSA-N- Molecular formula
- C24H18ClN3O
- Average molar mass
- 399.9 g/mol
- Monoisotopic mass
- 399.1138399
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-, (S)-
- IUPAC
- (3S)-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Names & synonyms
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-, (S)-50691-94-6DTXSID70198741(S)-1,3-Dihydro-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-2H-1,4-benzodiazepin-2-oneRefChem:267885DTXCID30121232CCK antagonist synthetic 6SCHEMBL9526220CHEMBL1907931BDBM82390(3S)-7-Chloro-3-[(1H-indol-3-yl)methyl]-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
50691-94-6- PubChem CID
- 39760
- DTXSID
DTXSID70198741- ChEMBL
CHEMBL1907931- Nikkaji
- J1.609.176F
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 632
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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