4-(methanesulfonyl)-2-methyl-N-[(4-methylphenyl)methyl]-1-{[4-(methylsulfanyl)phenyl]methyl}-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of
4-(methanesulfonyl)-2-methyl-N-[(4-methylphenyl)methyl]-1-{[4-(methylsulfanyl)phenyl]methyl}-6-oxopiperazine-2-carboxamide
4-(methanesulfonyl)-2-methyl-N-[(4-methylphenyl)methyl]-1-{[4-(methylsulfanyl)phenyl]methyl}-6-oxopiperazine-2-carboxamide
Compound characteristics
| Compound ID: | E646-3922 |
| Compound Name: | 4-(methanesulfonyl)-2-methyl-N-[(4-methylphenyl)methyl]-1-{[4-(methylsulfanyl)phenyl]methyl}-6-oxopiperazine-2-carboxamide |
| Molecular Weight: | 475.63 |
| Molecular Formula: | C23 H29 N3 O4 S2 |
| Smiles: | Cc1ccc(CNC(C2(C)CN(CC(N2Cc2ccc(cc2)SC)=O)S(C)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0151 |
| logD: | 3.0151 |
| logSw: | -3.4417 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.045 |
| InChI Key: | FSAXLFMNZBGDKU-QHCPKHFHSA-N |