propan-2-yl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
propan-2-yl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-3104 |
| Compound Name: | propan-2-yl 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate |
| Molecular Weight: | 364.85 |
| Molecular Formula: | C17 H17 Cl N2 O3 S |
| Smiles: | CC(C)OC(c1cccnc1SCC(Nc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3005 |
| logD: | 3.3004 |
| logSw: | -3.5689 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.03 |
| InChI Key: | BXXNVYIABCGSJP-UHFFFAOYSA-N |