2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-methoxy-1-methyl-
Basic information
- CAS
20430-80-2- Standard SMILES
COC1=NCC(=O)N(C)c2ccc(Cl)cc21- InChIKey
TZPLDIZBSIRGMA-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O2
- Average molar mass
- 238.67 g/mol
- Monoisotopic mass
- 238.0509053
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-methoxy-1-methyl-
- IUPAC
- 7-chloro-5-methoxy-1-methyl-3H-1,4-benzodiazepin-2-one
Names & synonyms
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-methoxy-1-methyl-20430-80-2BRN 07499161,3-Dihydro-7-chloro-5-methoxy-1-methyl-2H-1,4-benzodiazepin-2-one7-chloro-5-methoxy-1-methyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one2,2-Diphenyl-MutyronitrileCHEMBL3277009DTXSID20174378
Database identifiers
- CAS
20430-80-2- PubChem CID
- 209797
- DTXSID
DTXSID20174378- ChEMBL
CHEMBL3277009
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…