4-cyclopropyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-cyclopropyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
4-cyclopropyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-3948 |
| Compound Name: | 4-cyclopropyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 277.34 |
| Molecular Formula: | C13 H15 N3 O2 S |
| Smiles: | COc1ccc(cc1)OCc1nnc(n1C1CC1)S |
| Stereo: | ACHIRAL |
| logP: | 1.8892 |
| logD: | 1.8004 |
| logSw: | -2.0492 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.641 |
| InChI Key: | QTWFWSIUIRCCKW-UHFFFAOYSA-N |