3-({[(3-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-({[(3-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
3-({[(3-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K976-0064 |
| Compound Name: | 3-({[(3-fluorophenyl)methyl]sulfanyl}methyl)-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 508.59 |
| Molecular Formula: | C27 H26 F2 N4 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)NC(C(CSCc1cccc(c1)F)N2)=O)=O)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4656 |
| logD: | 4.4656 |
| logSw: | -4.3637 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.006 |
| InChI Key: | UHIYAFSUKWWLGO-VWLOTQADSA-N |