Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(=O)Nc1ccc(-c2ccc([C@H](CN3CCCC3)N(C)C(=O)CN(CC#N)c3ccc(Cl)c(Cl)c3)cc2)cc1- InChIKey
ADNYAJSOXMGSEH-PMERELPUSA-N- Molecular formula
- C31H33Cl2N5O2
- Average molar mass
- 578.5 g/mol
Names & identifiers
- Preferred name
- N1-[(1R)-1-[4'-(acetylamino)-4-biphenylyl]-2-(1-pyrrolidinyl)ethyl]-N2-(cyanomethyl)-N2-(3,4-dichlorophenyl)-N1-methylglycinamide
- IUPAC
- N-[(1R)-1-[4-(4-acetamidophenyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-[3,4-dichloro-N-(cyanomethyl)anilino]-N-methylacetamide
Names & synonyms
SCHEMBL2953942ADNYAJSOXMGSEH-PMERELPUSA-NN1-[(1R)-1-[4'-(acetylamino)-4-biphenylyl]-2-(1-pyrrolidinyl)ethyl]-N2-(cyanomethyl)-N2-(3,4-dichlorophenyl)-N1-methylglycinamide
Database identifiers
- PubChem CID
- 59809643
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 874
Related reactions
2 records
Compound notes
Loading…