3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl-
Basic information
- CAS
20430-79-9- Standard SMILES
CCOC1=NCC(=O)N(C)c2ccc(Cl)cc21- InChIKey
CDRROLMXMLSRJV-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O2
- Average molar mass
- 252.69 g/mol
- Monoisotopic mass
- 252.0665554
Names & identifiers
- Preferred name
- 3H-1,4-Benzodiazepin-2(1H)-one, 7-chloro-5-ethoxy-1-methyl-
- IUPAC
- 7-chloro-5-ethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
- English name
- 7-Chloro-5-ethoxy-1-methyl-1H-1,4-benzodiazepin-2(3H)-one
- Molecular formula
- C12H13ClN2O2
- Molecular weight
- 252.7
Names & synonyms
20430-79-93H-1,4-BENZODIAZEPIN-2(1H)-ONE, 7-CHLORO-5-ETHOXY-1-METHYL-BRN 07521807-Chloro-5-ethoxy-1-methyl-3H-1,4-benzodiazepin-2(1H)-oneCHEMBL3277010DTXSID601743777-Chloro-5-ethoxy-1-methyl-1H-1,4-benzodiazepin-2(3H)-oneDB-3073317-Chloro-5-ethoxy-1-methyl -1h-1,4-benzodiazepin-2(3h)-one7-Chloro-5-ethoxy-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-5-ethoxy-1,3-dihydro-1-methyl-
Database identifiers
- CAS
20430-79-9- PubChem CID
- 30156
- DTXSID
DTXSID60174377- ChEMBL
CHEMBL3277010- Nikkaji
- J69.305G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
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Compound notes
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