3-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-4-hydroxypent-3-en-2-one
Chemical Structure Depiction of
3-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-4-hydroxypent-3-en-2-one
3-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-4-hydroxypent-3-en-2-one
Compound characteristics
| Compound ID: | 8010-4373 |
| Compound Name: | 3-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-4-hydroxypent-3-en-2-one |
| Molecular Weight: | 385.87 |
| Molecular Formula: | C19 H16 Cl N3 O2 S |
| Smiles: | C/C(=C(/C(C)=O)Sc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)O |
| Stereo: | ACHIRAL |
| logP: | 4.0464 |
| logD: | 3.9302 |
| logSw: | -4.4138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.687 |
| InChI Key: | NWBKGYDCPMJLKQ-UHFFFAOYSA-N |