3-(3-methylphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3-methylphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(3-methylphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V002-7159 |
| Compound Name: | 3-(3-methylphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 335.47 |
| Molecular Formula: | C20 H21 N3 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3cccc(C)c3)n2CC=C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1584 |
| logD: | 5.1584 |
| logSw: | -5.1027 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.2191 |
| InChI Key: | SMBUHALWIXTSML-UHFFFAOYSA-N |