3-{[(3-methylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[(3-methylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one
3-{[(3-methylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K977-0152 |
| Compound Name: | 3-{[(3-methylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 586.63 |
| Molecular Formula: | C29 H29 F3 N4 O4 S |
| Smiles: | Cc1cccc(CS(CC2C(Nc3cc(ccc3N2)C(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)=O)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9964 |
| logD: | 3.9963 |
| logSw: | -4.1408 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.307 |
| InChI Key: | YWQNNEBKSWUFPU-SANMLTNESA-N |