N-benzyl-4-(methanesulfonyl)-2-methyl-1-{2-[4-(methylsulfanyl)phenyl]ethyl}-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(methanesulfonyl)-2-methyl-1-{2-[4-(methylsulfanyl)phenyl]ethyl}-6-oxopiperazine-2-carboxamide
N-benzyl-4-(methanesulfonyl)-2-methyl-1-{2-[4-(methylsulfanyl)phenyl]ethyl}-6-oxopiperazine-2-carboxamide
Compound characteristics
| Compound ID: | E646-3178 |
| Compound Name: | N-benzyl-4-(methanesulfonyl)-2-methyl-1-{2-[4-(methylsulfanyl)phenyl]ethyl}-6-oxopiperazine-2-carboxamide |
| Molecular Weight: | 475.63 |
| Molecular Formula: | C23 H29 N3 O4 S2 |
| Smiles: | CC1(CN(CC(N1CCc1ccc(cc1)SC)=O)S(C)(=O)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6909 |
| logD: | 2.6908 |
| logSw: | -3.0571 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.024 |
| InChI Key: | GQTATXNDISEPIU-QHCPKHFHSA-N |