3-(3,5-dimethoxyphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
3-(3,5-dimethoxyphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V007-5946 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Salt: | not_available |
| Smiles: | COc1cccc(CSc2nnc(c3cc(cc(c3)OC)OC)n2CC=C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6657 |
| logD: | 4.6657 |
| logSw: | -4.5671 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.85 |
| InChI Key: | YBXBGZVISPFKTC-UHFFFAOYSA-N |