N-benzyl-4-(methanesulfonyl)-2-methyl-1-{[4-(methylsulfanyl)phenyl]methyl}-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(methanesulfonyl)-2-methyl-1-{[4-(methylsulfanyl)phenyl]methyl}-6-oxopiperazine-2-carboxamide
N-benzyl-4-(methanesulfonyl)-2-methyl-1-{[4-(methylsulfanyl)phenyl]methyl}-6-oxopiperazine-2-carboxamide
Compound characteristics
| Compound ID: | E646-3237 |
| Compound Name: | N-benzyl-4-(methanesulfonyl)-2-methyl-1-{[4-(methylsulfanyl)phenyl]methyl}-6-oxopiperazine-2-carboxamide |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C22 H27 N3 O4 S2 |
| Smiles: | CC1(CN(CC(N1Cc1ccc(cc1)SC)=O)S(C)(=O)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5918 |
| logD: | 2.5917 |
| logSw: | -2.9328 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.045 |
| InChI Key: | BKZKZICOPVUNGF-QFIPXVFZSA-N |