3-{[(4-butoxyphenyl)methyl]sulfanyl}-5-ethyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-butoxyphenyl)methyl]sulfanyl}-5-ethyl-4H-1,2,4-triazole
3-{[(4-butoxyphenyl)methyl]sulfanyl}-5-ethyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 4298-0313 |
| Compound Name: | 3-{[(4-butoxyphenyl)methyl]sulfanyl}-5-ethyl-4H-1,2,4-triazole |
| Molecular Weight: | 291.41 |
| Molecular Formula: | C15 H21 N3 O S |
| Smiles: | CCCCOc1ccc(CSc2nnc(CC)[nH]2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3583 |
| logD: | 3.0081 |
| logSw: | -3.4195 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.154 |
| InChI Key: | SZZLHDJCBQXUSY-UHFFFAOYSA-N |