4-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4H-1,2,4-triazole-3-thiol
4-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8020-0931 |
| Compound Name: | 4-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 281.76 |
| Molecular Formula: | C12 H12 Cl N3 O S |
| Smiles: | COc1ccc(cc1n1c(C2CC2)nnc1S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.6847 |
| logD: | 1.4254 |
| logSw: | -3.2953 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.3104 |
| InChI Key: | GOBZELKVUTXIJY-UHFFFAOYSA-N |