N-(3-chlorophenyl)-4-{N-[chloro(phenyl)acetyl]phenylalanyl}-2-methylpiperazine-1-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-4-{N-[chloro(phenyl)acetyl]phenylalanyl}-2-methylpiperazine-1-carboxamide
N-(3-chlorophenyl)-4-{N-[chloro(phenyl)acetyl]phenylalanyl}-2-methylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | V001-0096 |
| Compound Name: | N-(3-chlorophenyl)-4-{N-[chloro(phenyl)acetyl]phenylalanyl}-2-methylpiperazine-1-carboxamide |
| Molecular Weight: | 553.49 |
| Molecular Formula: | C29 H30 Cl2 N4 O3 |
| Smiles: | CC1CN(CCN1C(Nc1cccc(c1)[Cl])=O)C(C(Cc1ccccc1)NC(C(c1ccccc1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1531 |
| logD: | 5.1525 |
| logSw: | -5.6012 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.426 |
| InChI Key: | ANKMRGNSZGYTEK-UHFFFAOYSA-N |