4-(benzenesulfonyl)-2-methyl-N-(3-methylbutyl)-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of
4-(benzenesulfonyl)-2-methyl-N-(3-methylbutyl)-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide
4-(benzenesulfonyl)-2-methyl-N-(3-methylbutyl)-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide
Compound characteristics
| Compound ID: | E646-2690 |
| Compound Name: | 4-(benzenesulfonyl)-2-methyl-N-(3-methylbutyl)-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide |
| Molecular Weight: | 489.66 |
| Molecular Formula: | C24 H31 N3 O4 S2 |
| Smiles: | CC(C)CCNC(C1(C)CN(CC(N1c1cccc(c1)SC)=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4157 |
| logD: | 3.4157 |
| logSw: | -3.8878 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.783 |
| InChI Key: | ZMKSCGLPPSLLEX-DEOSSOPVSA-N |