{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 8009-5696 |
| Compound Name: | {[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 345.8 |
| Molecular Formula: | C16 H12 Cl N3 O2 S |
| Smiles: | C(C(O)=O)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9871 |
| logD: | -0.3054 |
| logSw: | -3.5145 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.368 |
| InChI Key: | IQLKTILSOWLTFX-UHFFFAOYSA-N |