5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-8242 |
| Compound Name: | 5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C16 H18 N6 O3 S |
| Smiles: | CC(c1nnc(n1c1ccc(cc1)OC)S)n1c(C)c(c(C)n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9584 |
| logD: | 0.6991 |
| logSw: | -2.204 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.423 |
| InChI Key: | PFWAGGOPWGRCFP-NSHDSACASA-N |