Basic information
- CAS
1175788-60-9- Standard SMILES
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(Cl)c(Cl)c1- InChIKey
WQXQZVLIBYBYJH-HNNXBMFYSA-N- Molecular formula
- C18H15Cl2N3O3
- Average molar mass
- 392.2 g/mol
- Monoisotopic mass
- 391.0490467
Names & identifiers
- Preferred name
- (3S)-N-(3,4-Dichlorophenyl)-2,3,4,5-tetrahydro-2,5-dioxo-1H-1,4-benzodiazepine-3-propanamide
- IUPAC
- N-(3,4-dichlorophenyl)-3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide
Names & synonyms
(S)-N-(3,4-dichlorophenyl)-3-(2,5-dioxo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-yl)propanamide1175788-60-9DTXSID001119854AKOS032407179(3S)-N-(3,4-Dichlorophenyl)-2,3,4,5-tetrahydro-2,5-dioxo-1H-1,4-benzodiazepine-3-propanamideN-(3,4-Dichlorophenyl)-3-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide
Database identifiers
- CAS
1175788-60-9- PubChem CID
- 39338477
- DTXSID
DTXSID001119854
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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