4-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]butan-1-one
Chemical Structure Depiction of
4-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]butan-1-one
4-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | V028-4114 |
| Compound Name: | 4-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]butan-1-one |
| Molecular Weight: | 522.63 |
| Molecular Formula: | C26 H30 N6 O4 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1ccc(cc1)[N+]([O-])=O)=O)C(CCCSc1nnc(C)n1c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9981 |
| logD: | 2.9981 |
| logSw: | -3.3977 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.21 |
| InChI Key: | DXKAXJQHJBKWOO-IBGZPJMESA-N |