3-(3,5-dimethoxyphenyl)-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(3,5-dimethoxyphenyl)-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V009-6825 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-5-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(CSc2nnc(c3cc(cc(c3)OC)OC)n2CC=C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.8379 |
| logD: | 5.8379 |
| logSw: | -5.4563 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.307 |
| InChI Key: | JCVCNJQYCAUCBO-UHFFFAOYSA-N |