3-nitrophenyl 2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
3-nitrophenyl 2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate
3-nitrophenyl 2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-1518 |
| Compound Name: | 3-nitrophenyl 2-{[1-(morpholin-4-yl)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C20 H21 N3 O6 S |
| Smiles: | CCC(C(N1CCOCC1)=O)Sc1c(cccn1)C(=O)Oc1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0302 |
| logD: | 3.0302 |
| logSw: | -3.479 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.734 |
| InChI Key: | LTFFVVVLDVBRGY-KRWDZBQOSA-N |