3-{[(2-chloro-6-fluorophenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one
3-{[(2-chloro-6-fluorophenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K977-0428 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 625.04 |
| Molecular Formula: | C28 H25 Cl F4 N4 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)NC(C(CS(Cc1c(cccc1[Cl])F)(=O)=O)N2)=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9999 |
| logD: | 3.9998 |
| logSw: | -4.4456 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.307 |
| InChI Key: | VRNVRYDPDSXOCP-VWLOTQADSA-N |