Basic information
- Standard SMILES
COCC[C@H]1CN(C2=Nc3ccccc3Nc3ccc(C(C)C)cc32)CCN1- InChIKey
WQEUXFHWYILQFK-SFHVURJKSA-N- Molecular formula
- C23H30N4O
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.24196159
Names & identifiers
- Preferred name
- (S)-2-Isopropyl-11-[3-(2-methoxy-ethyl)-piperazin-1-yl]-5H-dibenzo[b,e][1,4]diazepine
- IUPAC
- 6-[(3S)-3-(2-methoxyethyl)piperazin-1-yl]-8-propan-2-yl-11H-benzo[b][1,4]benzodiazepine
Names & synonyms
SCHEMBL4840312SCHEMBL4840323WQEUXFHWYILQFK-SFHVURJKSA-N(S)-2-Isopropyl-11-[3-(2-methoxy-ethyl)-piperazin-1-yl]-5H-dibenzo[b,e][1,4]diazepine
Database identifiers
- PubChem CID
- 10249082
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 537
Related reactions
2 records
Compound notes
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