3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-5-({4-[(propan-2-yl)oxy]phenyl}methyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-5-({4-[(propan-2-yl)oxy]phenyl}methyl)-4H-1,2,4-triazole
3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-5-({4-[(propan-2-yl)oxy]phenyl}methyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 6280-1482 |
| Compound Name: | 3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-4-phenyl-5-({4-[(propan-2-yl)oxy]phenyl}methyl)-4H-1,2,4-triazole |
| Molecular Weight: | 524.48 |
| Molecular Formula: | C26 H26 Br N3 O2 S |
| Smiles: | CC(C)Oc1ccc(Cc2nnc(n2c2ccccc2)SCc2ccc(c(c2)[Br])OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0533 |
| logD: | 6.0533 |
| logSw: | -5.6013 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.122 |
| InChI Key: | FPJXTKMTPVQBCQ-UHFFFAOYSA-N |