4-ethyl-3-{[(3-methylphenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
4-ethyl-3-{[(3-methylphenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
4-ethyl-3-{[(3-methylphenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-6605 |
| Compound Name: | 4-ethyl-3-{[(3-methylphenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | CCn1c(c2cc(c(c(c2)OC)OC)OC)nnc1SCc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5605 |
| logD: | 4.5605 |
| logSw: | -4.4409 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.943 |
| InChI Key: | XDEUPZNOLRUWIN-UHFFFAOYSA-N |