3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V011-9454 |
| Compound Name: | 3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 349.5 |
| Molecular Formula: | C21 H23 N3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc(n1CC=C)SCc1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.9904 |
| logD: | 5.9904 |
| logSw: | -5.6726 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.2191 |
| InChI Key: | FELGYXJACDUTOY-UHFFFAOYSA-N |