3-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
3-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K976-0421 |
| Compound Name: | 3-({[(2-chloro-6-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 553.1 |
| Molecular Formula: | C29 H30 Cl F N4 O2 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(c1ccc2c(c1)NC(C(CSCc1c(cccc1[Cl])F)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9313 |
| logD: | 5.9313 |
| logSw: | -6.1289 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.705 |
| InChI Key: | YJRDZHPARHUSBC-SANMLTNESA-N |