{[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | F235-1943 |
| Compound Name: | {[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 414.69 |
| Molecular Formula: | C16 H10 Cl3 N3 O2 S |
| Smiles: | C(C(O)=O)Sc1nnc(c2ccc(cc2[Cl])[Cl])n1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4237 |
| logD: | 1.1312 |
| logSw: | -4.5241 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.368 |
| InChI Key: | JWIYASWUFCHRFO-UHFFFAOYSA-N |