4-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methoxy]-3-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methoxy]-3-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
4-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methoxy]-3-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8736 |
| Compound Name: | 4-[({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methoxy]-3-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 403.42 |
| Molecular Formula: | C16 H17 N7 O4 S |
| Smiles: | Cc1c(c(C)n(COc2ccc(/C=N/n3cnnc3S)cc2OC)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0294 |
| logD: | 0.9808 |
| logSw: | -2.0113 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.141 |
| InChI Key: | YYSHQRSCYULSLK-UHFFFAOYSA-N |