[2-({[5-methyl-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[2-({[5-methyl-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
[2-({[5-methyl-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V029-7452 |
| Compound Name: | [2-({[5-methyl-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C22 H24 N6 O3 S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1c1ccc(cc1)[N+]([O-])=O)SCc1ccccc1C(N1CCN(C)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2542 |
| logD: | 2.1235 |
| logSw: | -2.7746 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.268 |
| InChI Key: | OFTBXWPBRWDCCF-UHFFFAOYSA-N |