7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-{[(2-chloro-4-fluorophenyl)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-chloro-4-fluorophenyl)methanesulfonyl]methyl}-3,4-dihydroquinoxalin-2(1H)-one
7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K977-0479 |
| Compound Name: | 7-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-3-{[(2-chloro-4-fluorophenyl)methanesulfonyl]methyl}-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 615.08 |
| Molecular Formula: | C29 H28 Cl F N4 O6 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccc2c(c1)NC(C(CS(Cc1ccc(cc1[Cl])F)(=O)=O)N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.946 |
| logD: | 2.7543 |
| logSw: | -3.6294 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.702 |
| InChI Key: | KEGHZCGAEPTHPR-VWLOTQADSA-N |