3-nitrophenyl 2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
Chemical Structure Depiction of
3-nitrophenyl 2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
3-nitrophenyl 2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-1991 |
| Compound Name: | 3-nitrophenyl 2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | CCN(C(CSc1c(cccn1)C(=O)Oc1cccc(c1)[N+]([O-])=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7934 |
| logD: | 4.7934 |
| logSw: | -4.644 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.997 |
| InChI Key: | BJRBZLITKPMPRC-UHFFFAOYSA-N |