3-{[(4-ethoxyphenyl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-ethoxyphenyl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazole
3-{[(4-ethoxyphenyl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 4298-0265 |
| Compound Name: | 3-{[(4-ethoxyphenyl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 249.33 |
| Molecular Formula: | C12 H15 N3 O S |
| Smiles: | CCOc1ccc(CSc2nnc(C)[nH]2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7831 |
| logD: | 1.3397 |
| logSw: | -2.3424 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.482 |
| InChI Key: | PKFAUZDDSWANHD-UHFFFAOYSA-N |