3-methyl-5-{[(4-propoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-methyl-5-{[(4-propoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-methyl-5-{[(4-propoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 4298-0266 |
| Compound Name: | 3-methyl-5-{[(4-propoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 263.36 |
| Molecular Formula: | C13 H17 N3 O S |
| Smiles: | CCCOc1ccc(CSc2nnc(C)[nH]2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3735 |
| logD: | 1.9301 |
| logSw: | -2.4976 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.776 |
| InChI Key: | XMEXDMJTTNCPNB-UHFFFAOYSA-N |