3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5-[(4-ethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5-[(4-ethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazole
3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5-[(4-ethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 6280-1477 |
| Compound Name: | 3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5-[(4-ethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 448.38 |
| Molecular Formula: | C20 H22 Br N3 O2 S |
| Smiles: | CCOc1ccc(Cc2nnc(n2C)SCc2ccc(c(c2)[Br])OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3047 |
| logD: | 4.3047 |
| logSw: | -4.3786 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.781 |
| InChI Key: | QXHRRRDGBFENRE-UHFFFAOYSA-N |