3-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole
3-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V010-3627 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C20 H21 N3 O3 S |
| Smiles: | COc1ccc(cc1)n1c(c2cc(cc(c2)OC)OC)nnc1SCC=C |
| Stereo: | ACHIRAL |
| logP: | 4.5144 |
| logD: | 4.5144 |
| logSw: | -4.3987 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.615 |
| InChI Key: | IJXAMFPCYMKCOA-UHFFFAOYSA-N |