3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-{[4-(2-methylpropoxy)phenyl]methyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-{[4-(2-methylpropoxy)phenyl]methyl}-4H-1,2,4-triazole
3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-{[4-(2-methylpropoxy)phenyl]methyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 6280-1481 |
| Compound Name: | 3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-{[4-(2-methylpropoxy)phenyl]methyl}-4H-1,2,4-triazole |
| Molecular Weight: | 476.43 |
| Molecular Formula: | C22 H26 Br N3 O2 S |
| Smiles: | CC(C)COc1ccc(Cc2nnc(n2C)SCc2ccc(c(c2)[Br])OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.218 |
| logD: | 5.218 |
| logSw: | -5.2088 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.157 |
| InChI Key: | GDPOBYYCXAZLFO-UHFFFAOYSA-N |