propan-2-yl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
propan-2-yl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-3096 |
| Compound Name: | propan-2-yl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate |
| Molecular Weight: | 376.49 |
| Molecular Formula: | C18 H20 N2 O3 S2 |
| Smiles: | CC(C)OC(c1cccnc1SCC(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7107 |
| logD: | 3.7107 |
| logSw: | -3.8781 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.728 |
| InChI Key: | AKQWWQBAWPLCPR-UHFFFAOYSA-N |