3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazole
3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazole
Compound characteristics
Compound ID: | 6280-1476 |
Compound Name: | 3-{[(3-bromo-4-methoxyphenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4-phenyl-4H-1,2,4-triazole |
Molecular Weight: | 496.42 |
Molecular Formula: | C24 H22 Br N3 O2 S |
Smiles: | COc1ccc(Cc2nnc(n2c2ccccc2)SCc2ccc(c(c2)[Br])OC)cc1 |
Stereo: | ACHIRAL |
logP: | 5.3692 |
logD: | 5.3692 |
logSw: | -5.5299 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.863 |
InChI Key: | CXIIKVQFFRAVKX-UHFFFAOYSA-N |