4-[3-(diethylamino)propyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[3-(diethylamino)propyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4H-1,2,4-triazole-3-thiol
4-[3-(diethylamino)propyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8789 |
| Compound Name: | 4-[3-(diethylamino)propyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 400.49 |
| Molecular Formula: | C18 H26 F2 N4 O2 S |
| Smiles: | CCN(CC)CCCn1c(c2ccc(c(c2)OCC)OC(F)F)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.8521 |
| logD: | 2.8521 |
| logSw: | -2.9425 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.277 |
| InChI Key: | ZHNKBYYKGOWRHA-UHFFFAOYSA-N |