Basic information
- Standard SMILES
CN(C)C(=O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1- InChIKey
MIAHSHQEHFJVGK-WUFINQPMSA-N- Molecular formula
- C32H36ClN5O3
- Average molar mass
- 574.1 g/mol
Names & identifiers
- Preferred name
- [2-(4-((2R)-2-[((3S)(3-1,2,3,4-Tetrahydroisoquinolyl))carbonylamino]-3-(4-chlorophenyl)propanoyl}piperazinyl)phenyl]-N,N-dimethylcarboxamide
- IUPAC
- (3S)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(dimethylcarbamoyl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Names & synonyms
[2-(4-((2R)-2-[((3S)(3-1,2,3,4-Tetrahydroisoquinolyl))carbonylamino]-3-(4-chlorophenyl)propanoyl}piperazinyl)phenyl]-N,N-dimethylcarboxamide[2-(4-{(2R)-2-[((3S)(3-1,2,3,4-Tetrahydroisoquinolyl))carbonylamino]-3-(4-chlorophenyl)propanoyl}piperazinyl)phenyl]-N,N-dimethylcarboxamideSCHEMBL13790258MIAHSHQEHFJVGK-WUFINQPMSA-N
Database identifiers
- PubChem CID
- 10144701
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 902
Related reactions
2 records
Compound notes
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