7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-oxide
Basic information
- CAS
1177751-52-8- Standard SMILES
O=C1CN(O)C(c2ccccc2Cl)=c2cc(Br)ccc2=N1- InChIKey
YNKDPCTZJPAZJC-UHFFFAOYSA-N- Molecular formula
- C15H10BrClN2O2
- Average molar mass
- 365.61 g/mol
- Monoisotopic mass
- 363.96142
Names & identifiers
- Preferred name
- 7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-oxide
- IUPAC
- 7-bromo-5-(2-chlorophenyl)-4-hydroxy-3H-1,4-benzodiazepin-2-one
Names & synonyms
7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-oxidePhenazepam 4-oxideChemDivAM_000734CBMicro_035047ChemDiv1_019439Cambridge id 5849037MLS001173253CHEMBL1410292HMS642D13DTXSID101342626HMS2876A03STL043548
Show more names
STL494952AKOS002312960AKOS0056971471177751-52-8SMR000539059BIM-0034921.P001ST50759261AB00099197-01
Database identifiers
- CAS
1177751-52-8- PubChem CID
- 630182
- DTXSID
DTXSID101342626- ChEMBL
CHEMBL1410292
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
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Compound notes
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