Basic information
- Standard SMILES
Cc1ccc2c(c1)C(N1CCN(C)[C@@H](CCc3ccccc3)C1)=Nc1ccccc1N2- InChIKey
LRIMPFLXGVIDEZ-QFIPXVFZSA-N- Molecular formula
- C27H30N4
- Average molar mass
- 410.6 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-11-[4-methyl-(S)-3-phenethyl-piperazin-1-yl]-5H-dibenzo[b,e][1,4]diazepine
- IUPAC
- 8-methyl-6-[(3S)-4-methyl-3-(2-phenylethyl)piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine
Names & synonyms
SCHEMBL5566212LRIMPFLXGVIDEZ-QFIPXVFZSA-N2-Methyl-11-[4-methyl-(S)-3-phenethyl-piperazin-1-yl]-5H-dibenzo[b,e][1,4]diazepine
Database identifiers
- PubChem CID
- 21093499
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 612
Related reactions
1 records
Compound notes
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