5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8012-2519 |
| Compound Name: | 5-{[4-(2-phenylpropan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 365.5 |
| Molecular Formula: | C21 H23 N3 O S |
| Smiles: | CC(C)(c1ccccc1)c1ccc(cc1)OCc1nnc(n1CC=C)S |
| Stereo: | ACHIRAL |
| logP: | 4.2712 |
| logD: | 3.8467 |
| logSw: | -4.3138 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.1681 |
| InChI Key: | AECLCPPRRANGDB-UHFFFAOYSA-N |