3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-7576 |
| Compound Name: | 3-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C20 H23 N3 O4 S |
| Smiles: | Cn1c(c2cc(c(c(c2)OC)OC)OC)nnc1SCc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3547 |
| logD: | 3.3547 |
| logSw: | -3.5659 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.572 |
| InChI Key: | PPWBJOUBAQCBSO-UHFFFAOYSA-N |