3-{[(4-propoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-propoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
3-{[(4-propoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 4298-0251 |
| Compound Name: | 3-{[(4-propoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 249.33 |
| Molecular Formula: | C12 H15 N3 O S |
| Smiles: | CCCOc1ccc(CSc2nnc[nH]2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.023 |
| logD: | 1.6467 |
| logSw: | -2.3658 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.81 |
| InChI Key: | NNGWZXZAMZZUFL-UHFFFAOYSA-N |