5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8013-2357 |
| Compound Name: | 5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 339.46 |
| Molecular Formula: | C19 H21 N3 O S |
| Smiles: | CC(C)c1ccc(C)cc1OCC1=NNC(N1c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.8994 |
| logD: | 4.0623 |
| logSw: | -4.5953 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.415 |
| InChI Key: | OSCREBPMAMPWBO-UHFFFAOYSA-N |