2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(3-nitrophenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(3-nitrophenyl)methylidene]acetohydrazide
2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(3-nitrophenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | Y500-5363 |
| Compound Name: | 2-({5-[(1H-benzotriazol-1-yl)methyl]-4-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(3-nitrophenyl)methylidene]acetohydrazide |
| Molecular Weight: | 582.43 |
| Molecular Formula: | C24 H17 Cl2 N9 O3 S |
| Smiles: | C(c1nnc(n1c1ccc(cc1[Cl])[Cl])SCC(N/N=C/c1cccc(c1)[N+]([O-])=O)=O)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.0534 |
| logD: | 4.053 |
| logSw: | -4.3679 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.841 |
| InChI Key: | OIJUGGBDBPRUSZ-UHFFFAOYSA-N |