3-{[(3-chlorophenyl)methanesulfonyl]methyl}-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[(3-chlorophenyl)methanesulfonyl]methyl}-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
3-{[(3-chlorophenyl)methanesulfonyl]methyl}-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K977-0337 |
| Compound Name: | 3-{[(3-chlorophenyl)methanesulfonyl]methyl}-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 540.04 |
| Molecular Formula: | C26 H26 Cl N5 O4 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)NC(C(CS(Cc1cccc(c1)[Cl])(=O)=O)N2)=O)=O)c1ccccn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8721 |
| logD: | 2.8632 |
| logSw: | -3.5634 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.818 |
| InChI Key: | SCSYKAMWPNGKHA-QHCPKHFHSA-N |