3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one
3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K977-0382 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 600.66 |
| Molecular Formula: | C30 H31 F3 N4 O4 S |
| Smiles: | Cc1ccc(C)c(CS(CC2C(Nc3cc(ccc3N2)C(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)=O)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5224 |
| logD: | 4.5223 |
| logSw: | -4.2398 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.307 |
| InChI Key: | OKJFCMPZHCVLNL-MHZLTWQESA-N |