3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K977-0248 |
| Compound Name: | 3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 540.59 |
| Molecular Formula: | C27 H26 F2 N4 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)NC(C(CS(Cc1ccc(cc1)F)(=O)=O)N2)=O)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4512 |
| logD: | 2.4511 |
| logSw: | -2.9347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.307 |
| InChI Key: | MYJRXWNRUUFMIO-VWLOTQADSA-N |