3-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
3-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K976-0429 |
| Compound Name: | 3-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(pyridin-2-yl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 526.03 |
| Molecular Formula: | C26 H25 Cl F N5 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)NC(C(CSCc1c(cccc1[Cl])F)N2)=O)=O)c1ccccn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4753 |
| logD: | 4.4664 |
| logSw: | -4.503 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.518 |
| InChI Key: | QUAAZDSNXFJFNT-QHCPKHFHSA-N |