3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V002-7171 |
| Compound Name: | 3-{[(3,4-dimethylphenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 365.5 |
| Molecular Formula: | C21 H23 N3 O S |
| Salt: | not_available |
| Smiles: | Cc1ccc(CSc2nnc(c3ccc(cc3)OC)n2CC=C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 5.6035 |
| logD: | 5.6035 |
| logSw: | -5.4876 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.763 |
| InChI Key: | ROQNIWWJXFQUDU-UHFFFAOYSA-N |