3-{[(2-chlorophenyl)methanesulfonyl]methyl}-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methanesulfonyl]methyl}-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
3-{[(2-chlorophenyl)methanesulfonyl]methyl}-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K977-0018 |
| Compound Name: | 3-{[(2-chlorophenyl)methanesulfonyl]methyl}-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 557.04 |
| Molecular Formula: | C27 H26 Cl F N4 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)NC(C(CS(Cc1ccccc1[Cl])(=O)=O)N2)=O)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3035 |
| logD: | 3.3034 |
| logSw: | -3.6865 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.307 |
| InChI Key: | WLCSBFZZVNCIRH-VWLOTQADSA-N |