[2-({[4-(2-methoxyethyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[2-({[4-(2-methoxyethyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
[2-({[4-(2-methoxyethyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V029-5597 |
| Compound Name: | [2-({[4-(2-methoxyethyl)-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C24 H28 N6 O4 S |
| Salt: | not_available |
| Smiles: | CN1CCN(CC1)C(c1ccccc1CSc1nnc(c2ccccc2[N+]([O-])=O)n1CCOC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4702 |
| logD: | 2.3395 |
| logSw: | -2.7458 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.767 |
| InChI Key: | OBNMVXSYTWUNGF-UHFFFAOYSA-N |