4-cyclopropyl-5-[4-(difluoromethoxy)-3-methoxyphenyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-cyclopropyl-5-[4-(difluoromethoxy)-3-methoxyphenyl]-4H-1,2,4-triazole-3-thiol
4-cyclopropyl-5-[4-(difluoromethoxy)-3-methoxyphenyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-3937 |
| Compound Name: | 4-cyclopropyl-5-[4-(difluoromethoxy)-3-methoxyphenyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 313.32 |
| Molecular Formula: | C13 H13 F2 N3 O2 S |
| Smiles: | COc1cc(ccc1OC(F)F)c1nnc(n1C1CC1)S |
| Stereo: | ACHIRAL |
| logP: | 2.3018 |
| logD: | 2.1411 |
| logSw: | -2.5157 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.944 |
| InChI Key: | HXCMXYGMODKWJP-UHFFFAOYSA-N |