propan-2-yl 2-({2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-({2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
propan-2-yl 2-({2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-3105 |
| Compound Name: | propan-2-yl 2-({2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate |
| Molecular Weight: | 432.85 |
| Molecular Formula: | C18 H16 Cl F3 N2 O3 S |
| Smiles: | CC(C)OC(c1cccnc1SCC(Nc1ccc(cc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3478 |
| logD: | 4.3477 |
| logSw: | -4.4116 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.03 |
| InChI Key: | RZOBSVPTCOZHEA-UHFFFAOYSA-N |