7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-3,4-dihydroquinoxalin-2(1H)-one
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K976-0249 |
| Compound Name: | 7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 548.64 |
| Molecular Formula: | C29 H29 F N4 O4 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccc2c(c1)NC(C(CSCc1ccc(cc1)F)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4966 |
| logD: | 3.3049 |
| logSw: | -3.7705 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.402 |
| InChI Key: | HEOWUYQASOQLMH-VWLOTQADSA-N |