2-chlorophenyl 2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
2-chlorophenyl 2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate
2-chlorophenyl 2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
Compound ID: | K786-1998 |
Compound Name: | 2-chlorophenyl 2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate |
Molecular Weight: | 420.91 |
Molecular Formula: | C20 H21 Cl N2 O4 S |
Smiles: | CCC(C(N1CCOCC1)=O)Sc1c(cccn1)C(=O)Oc1ccccc1[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 3.505 |
logD: | 3.505 |
logSw: | -3.8223 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 54.439 |
InChI Key: | VUHHSRIQIRQFRA-KRWDZBQOSA-N |