1-(3-chloro-2-methylphenyl)-4-(ethanesulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxopiperazine-2-carboxamide
Chemical Structure Depiction of
1-(3-chloro-2-methylphenyl)-4-(ethanesulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxopiperazine-2-carboxamide
1-(3-chloro-2-methylphenyl)-4-(ethanesulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxopiperazine-2-carboxamide
Compound characteristics
| Compound ID: | E646-3554 |
| Compound Name: | 1-(3-chloro-2-methylphenyl)-4-(ethanesulfonyl)-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxopiperazine-2-carboxamide |
| Molecular Weight: | 481.97 |
| Molecular Formula: | C22 H25 Cl F N3 O4 S |
| Smiles: | CCS(N1CC(N(c2cccc(c2C)[Cl])C(C)(C1)C(NCc1ccc(cc1)F)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9368 |
| logD: | 2.9367 |
| logSw: | -3.5559 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.535 |
| InChI Key: | UAKOLTLFUILWEQ-QFIPXVFZSA-N |