2-({5-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-({5-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one
2-({5-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
Compound ID: | 8014-6180 |
Compound Name: | 2-({5-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one |
Molecular Weight: | 524.44 |
Molecular Formula: | C25 H22 Br N3 O3 S |
Smiles: | Cc1ccccc1n1c(COc2ccc(cc2)[Br])nnc1SCC(c1ccc(cc1)OC)=O |
Stereo: | ACHIRAL |
logP: | 5.5083 |
logD: | 5.5083 |
logSw: | -5.4318 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 53.678 |
InChI Key: | QZVMGPWATPEACJ-UHFFFAOYSA-N |