5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8632 |
| Compound Name: | 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 414.47 |
| Molecular Formula: | C18 H24 F2 N4 O3 S |
| Smiles: | CCOc1cc(ccc1OC(F)F)c1nnc(n1CCCN1CCOCC1)S |
| Stereo: | ACHIRAL |
| logP: | 1.7082 |
| logD: | 1.3639 |
| logSw: | -1.9079 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.486 |
| InChI Key: | PSAISKINQCBEHB-UHFFFAOYSA-N |