[4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
[4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V001-0197 |
| Compound Name: | [4-({[4-(4-methylphenyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C28 H28 N6 O3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2ccccc2[N+]([O-])=O)nnc1SCc1ccc(cc1)C(N1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6432 |
| logD: | 3.5125 |
| logSw: | -3.9779 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.918 |
| InChI Key: | MWXRGHZMPISMCH-UHFFFAOYSA-N |