4-(ethanesulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of
4-(ethanesulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide
4-(ethanesulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide
Compound characteristics
| Compound ID: | E646-3570 |
| Compound Name: | 4-(ethanesulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-[3-(methylsulfanyl)phenyl]-6-oxopiperazine-2-carboxamide |
| Molecular Weight: | 479.59 |
| Molecular Formula: | C22 H26 F N3 O4 S2 |
| Smiles: | CCS(N1CC(N(c2cccc(c2)SC)C(C)(C1)C(NCc1ccc(cc1)F)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2562 |
| logD: | 2.2561 |
| logSw: | -2.8475 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.836 |
| InChI Key: | IELLORRTQSIZKD-QFIPXVFZSA-N |