propan-2-yl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
propan-2-yl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-1993 |
| Compound Name: | propan-2-yl 2-{[2-(3-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)c(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6399 |
| logD: | 4.6398 |
| logSw: | -4.7905 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.728 |
| InChI Key: | DWBNCUDXHVTQKV-UHFFFAOYSA-N |