Basic information
- Standard SMILES
CCc1ccccc1N1CCN(CCC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1- InChIKey
ZUQCGCWSQICUQS-UHFFFAOYSA-N- Molecular formula
- C27H29N5O2
- Average molar mass
- 455.6 g/mol
- Monoisotopic mass
- 455.23212518
Names & identifiers
- Preferred name
- 11-[3-[4-(2-ethylphenyl)piperazin-1-yl]propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
- IUPAC
- 11-[3-[4-(2-ethylphenyl)piperazin-1-yl]propanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Names & synonyms
SCHEMBL11485972
Database identifiers
- PubChem CID
- 70595085
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 709
Related reactions
1 records
Compound notes
Loading…