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Basic information
- Standard SMILES
CCc1ccc(CC(NC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCCC3)CC2)cc1CC- InChIKey
WYAQWHAQIMLBLZ-UHFFFAOYSA-N- Molecular formula
- C39H56N6O3
- Average molar mass
- 656.9 g/mol
Names & identifiers
- Preferred name
- N-[1-[4-(azepan-1-yl)piperidin-1-yl]-3-(3,4-diethylphenyl)-1-oxopropan-2-yl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide
- IUPAC
- N-[1-[4-(azepan-1-yl)piperidin-1-yl]-3-(3,4-diethylphenyl)-1-oxopropan-2-yl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide
Database identifiers
- PubChem CID
- 10349366
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
1 records
Compound notes
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