2-chlorophenyl 2-({2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
Chemical Structure Depiction of
2-chlorophenyl 2-({2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
2-chlorophenyl 2-({2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-3106 |
| Compound Name: | 2-chlorophenyl 2-({2-[2-chloro-4-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate |
| Molecular Weight: | 501.31 |
| Molecular Formula: | C21 H13 Cl2 F3 N2 O3 S |
| Smiles: | C(C(Nc1ccc(cc1[Cl])C(F)(F)F)=O)Sc1c(cccn1)C(=O)Oc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4368 |
| logD: | 5.4366 |
| logSw: | -5.9096 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.062 |
| InChI Key: | YHWAGRCIMDFEDM-UHFFFAOYSA-N |