4-phenyl-5-({4-[(propan-2-yl)oxy]phenyl}methyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-phenyl-5-({4-[(propan-2-yl)oxy]phenyl}methyl)-4H-1,2,4-triazole-3-thiol
4-phenyl-5-({4-[(propan-2-yl)oxy]phenyl}methyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8010-5914 |
| Compound Name: | 4-phenyl-5-({4-[(propan-2-yl)oxy]phenyl}methyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 325.43 |
| Molecular Formula: | C18 H19 N3 O S |
| Smiles: | CC(C)Oc1ccc(Cc2nnc(n2c2ccccc2)S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4942 |
| logD: | 2.2349 |
| logSw: | -3.5236 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.2365 |
| InChI Key: | TZZVOPDCWJUQRS-UHFFFAOYSA-N |