Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-3-methyl-2-oxo-, methyl ester
Basic information
- CAS
87216-26-0- Standard SMILES
COC(=O)C1=C2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3N2CC(=O)N1C- InChIKey
KINVXRBWISPLJS-UHFFFAOYSA-N- Molecular formula
- C21H17Cl2N3O3
- Average molar mass
- 430.3 g/mol
- Monoisotopic mass
- 429.0646968
Names & identifiers
- Preferred name
- Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-3-methyl-2-oxo-, methyl ester
- IUPAC
- methyl 9-chloro-7-(2-chlorophenyl)-3-methyl-2-oxo-1,5-dihydropyrazino[1,2-a][1,4]benzodiazepine-4-carboxylate
Names & synonyms
BRN 4599651Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-3-methyl-2-oxo-, methyl ester87216-26-0DTXSID00236206RefChem:376021DTXCID60158697Methyl 9-chloro-7-(2-chlorophenyl)-3-methyl-2-oxo-1,2,3,5-tetrahydropyrazino[1,2-a][1,4]benzodiazepine-4-carboxylate
Database identifiers
- CAS
87216-26-0- PubChem CID
- 3070992
- DTXSID
DTXSID00236206
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 753
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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