4-(4-methoxyphenyl)-5-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-methoxyphenyl)-5-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-(4-methoxyphenyl)-5-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-7999 |
| Compound Name: | 4-(4-methoxyphenyl)-5-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 346.37 |
| Molecular Formula: | C14 H14 N6 O3 S |
| Smiles: | Cc1cc(nn1Cc1nnc(n1c1ccc(cc1)OC)S)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.9219 |
| logD: | -0.3374 |
| logSw: | -1.8492 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.023 |
| InChI Key: | WPNSTJYFFUIKQV-UHFFFAOYSA-N |