5-(3-cyclopropyl-1H-pyrazol-5-yl)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3-cyclopropyl-1H-pyrazol-5-yl)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-(3-cyclopropyl-1H-pyrazol-5-yl)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8013-1298 |
| Compound Name: | 5-(3-cyclopropyl-1H-pyrazol-5-yl)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 343.41 |
| Molecular Formula: | C16 H17 N5 O2 S |
| Smiles: | COc1ccc(c(c1)n1c(c2cc(C3CC3)n[nH]2)nnc1S)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9381 |
| logD: | 2.0472 |
| logSw: | -3.3334 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.344 |
| InChI Key: | MHTRBVRAVZJZDR-UHFFFAOYSA-N |