3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K977-0388 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methanesulfonyl]methyl}-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 562.69 |
| Molecular Formula: | C30 H34 N4 O5 S |
| Smiles: | Cc1ccc(C)c(CS(CC2C(Nc3cc(ccc3N2)C(N2CCN(CC2)c2ccc(cc2)OC)=O)=O)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8256 |
| logD: | 3.8255 |
| logSw: | -3.9295 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.85 |
| InChI Key: | HHJDHZBEPDWZQY-NDEPHWFRSA-N |