3-nitrophenyl 2-{[1-(2-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
3-nitrophenyl 2-{[1-(2-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate
3-nitrophenyl 2-{[1-(2-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-3803 |
| Compound Name: | 3-nitrophenyl 2-{[1-(2-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}pyridine-3-carboxylate |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C23 H21 N3 O6 S |
| Smiles: | CCC(C(Nc1ccccc1OC)=O)Sc1c(cccn1)C(=O)Oc1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8934 |
| logD: | 4.8933 |
| logSw: | -4.6581 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.201 |
| InChI Key: | XCFBVWPDNPRDKQ-FQEVSTJZSA-N |