4-({[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}amino)-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-({[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}amino)-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol
4-({[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}amino)-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 3277-0387 |
| Compound Name: | 4-({[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methylidene}amino)-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 437.48 |
| Molecular Formula: | C20 H19 N7 O3 S |
| Smiles: | Cc1cc(c(C)cc1c1ccc(/C=N/n2c(nnc2S)n2c(C)cc(C)n2)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7749 |
| logD: | 3.3342 |
| logSw: | -3.9858 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.413 |
| InChI Key: | NBDDVAFTILXGJX-UHFFFAOYSA-N |