3-{[(2-chloro-6-fluorophenyl)methanesulfonyl]methyl}-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[(2-chloro-6-fluorophenyl)methanesulfonyl]methyl}-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
3-{[(2-chloro-6-fluorophenyl)methanesulfonyl]methyl}-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K977-0421 |
| Compound Name: | 3-{[(2-chloro-6-fluorophenyl)methanesulfonyl]methyl}-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 585.1 |
| Molecular Formula: | C29 H30 Cl F N4 O4 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(c1ccc2c(c1)NC(C(CS(Cc1c(cccc1[Cl])F)(=O)=O)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3227 |
| logD: | 4.3227 |
| logSw: | -4.4913 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.006 |
| InChI Key: | ABYCYCWDHYLUGZ-SANMLTNESA-N |