3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole
3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V017-0055 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2cc(cc(c2)OC)OC)nnc1SCC=C |
| Stereo: | ACHIRAL |
| logP: | 4.9554 |
| logD: | 4.9554 |
| logSw: | -4.7039 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.072 |
| InChI Key: | QLYKCESHBFCMQJ-UHFFFAOYSA-N |