2-({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
Chemical Structure Depiction of
2-({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
2-({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
Compound characteristics
Compound ID: | D178-0175 |
Compound Name: | 2-({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid |
Molecular Weight: | 434.31 |
Molecular Formula: | C18 H16 Br N3 O3 S |
Smiles: | CC(C(O)=O)Sc1nnc(COc2ccc(cc2)[Br])n1c1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.4849 |
logD: | 0.4298 |
logSw: | -3.6244 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.868 |
InChI Key: | ASRPKFJGRKZRRZ-LBPRGKRZSA-N |