({5-[(3-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({5-[(3-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
({5-[(3-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Compound characteristics
Compound ID: | D423-0053 |
Compound Name: | ({5-[(3-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid |
Molecular Weight: | 375.83 |
Molecular Formula: | C17 H14 Cl N3 O3 S |
Smiles: | C(c1nnc(n1c1ccccc1)SCC(O)=O)Oc1cccc(c1)[Cl] |
Stereo: | ACHIRAL |
logP: | 2.9696 |
logD: | -0.3229 |
logSw: | -3.1977 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.843 |
InChI Key: | RDASNAGXZCWZHX-UHFFFAOYSA-N |