({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | D432-0130 |
| Compound Name: | ({5-[(4-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)Oc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7684 |
| logD: | -0.5242 |
| logSw: | -3.1217 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.843 |
| InChI Key: | PLFYTBZBUVIOJM-UHFFFAOYSA-N |