6-{4-[2-chloro-5-(trifluoromethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}pyridazin-3(2H)-one
Chemical Structure Depiction of
6-{4-[2-chloro-5-(trifluoromethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}pyridazin-3(2H)-one
6-{4-[2-chloro-5-(trifluoromethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | 8017-7448 |
| Compound Name: | 6-{4-[2-chloro-5-(trifluoromethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}pyridazin-3(2H)-one |
| Molecular Weight: | 373.74 |
| Molecular Formula: | C13 H7 Cl F3 N5 O S |
| Smiles: | C1=CC(NN=C1c1nnc(n1c1cc(ccc1[Cl])C(F)(F)F)S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.78 |
| logD: | 2.4205 |
| logSw: | -3.6721 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.566 |
| InChI Key: | WZESTBKAKCFIQV-UHFFFAOYSA-N |