7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-{[(2-chlorophenyl)methanesulfonyl]methyl}-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-{[(2-chlorophenyl)methanesulfonyl]methyl}-3,4-dihydroquinoxalin-2(1H)-one
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-{[(2-chlorophenyl)methanesulfonyl]methyl}-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K977-0019 |
| Compound Name: | 7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-{[(2-chlorophenyl)methanesulfonyl]methyl}-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 597.09 |
| Molecular Formula: | C29 H29 Cl N4 O6 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccc2c(c1)NC(C(CS(Cc1ccccc1[Cl])(=O)=O)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7051 |
| logD: | 2.5134 |
| logSw: | -3.5435 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.702 |
| InChI Key: | LTLRTCFBJUKQDX-VWLOTQADSA-N |