3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K977-0245 |
| Compound Name: | 3-{[(4-fluorophenyl)methanesulfonyl]methyl}-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 523.59 |
| Molecular Formula: | C26 H26 F N5 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)NC(C(CS(Cc1ccc(cc1)F)(=O)=O)N2)=O)=O)c1ccccn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9682 |
| logD: | 1.9593 |
| logSw: | -2.7846 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.818 |
| InChI Key: | BKSOCHNZKCQTHH-QHCPKHFHSA-N |