propan-2-yl 2-{[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
propan-2-yl 2-{[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-3095 |
| Compound Name: | propan-2-yl 2-{[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate |
| Molecular Weight: | 378.88 |
| Molecular Formula: | C18 H19 Cl N2 O3 S |
| Smiles: | CC(C)OC(c1cccnc1SCC(Nc1ccc(C)cc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9736 |
| logD: | 3.9734 |
| logSw: | -4.2045 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.03 |
| InChI Key: | XSCFRPOTMBOEEM-UHFFFAOYSA-N |