Basic information
- CAS
50691-93-5- Standard SMILES
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1Cc1ccc(O)cc1- InChIKey
DWQPHVZCAFGJBO-FQEVSTJZSA-N- Molecular formula
- C22H17ClN2O2
- Average molar mass
- 376.8 g/mol
- Monoisotopic mass
- 376.0978555
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-((4-hydroxyphenyl)methyl)-5-phenyl-, (S)-
- IUPAC
- (3S)-7-chloro-3-[(4-hydroxyphenyl)methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Names & synonyms
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-((4-hydroxyphenyl)methyl)-5-phenyl-, (S)-DTXSID10198740(S)-1,3-Dihydro-7-chloro-3-((4-hydroxyphenyl)methyl)-5-phenyl-2H-1,4-benzodiazepin-2-one50691-93-5RefChem:267884DTXCID70121231(3S)-7-Chloro-3-[(4-hydroxyphenyl)methyl]-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
50691-93-5- PubChem CID
- 39759
- DTXSID
DTXSID10198740- Nikkaji
- J1.609.175H
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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