3-({[(3-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-({[(3-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
3-({[(3-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K976-0066 |
| Compound Name: | 3-({[(3-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 520.63 |
| Molecular Formula: | C28 H29 F N4 O3 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc2c(c1)NC(C(CSCc1cccc(c1)F)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4189 |
| logD: | 4.4189 |
| logSw: | -4.2807 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.55 |
| InChI Key: | QDJHEZDRZWBBSE-SANMLTNESA-N |