7-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3-({[(4-methylphenyl)methyl]sulfanyl}methyl)-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
7-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3-({[(4-methylphenyl)methyl]sulfanyl}methyl)-3,4-dihydroquinoxalin-2(1H)-one
7-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3-({[(4-methylphenyl)methyl]sulfanyl}methyl)-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | K976-0196 |
| Compound Name: | 7-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3-({[(4-methylphenyl)methyl]sulfanyl}methyl)-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 514.69 |
| Molecular Formula: | C30 H34 N4 O2 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(c1ccc2c(c1)NC(C(CSCc1ccc(C)cc1)N2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2186 |
| logD: | 5.2185 |
| logSw: | -4.9475 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.225 |
| InChI Key: | RSPFETYWDBOQOX-UHFFFAOYSA-N |