3-nitrophenyl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
Chemical Structure Depiction of
3-nitrophenyl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
3-nitrophenyl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-3097 |
| Compound Name: | 3-nitrophenyl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylate |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C21 H17 N3 O5 S2 |
| Smiles: | CSc1cccc(c1)NC(CSc1c(cccn1)C(=O)Oc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3249 |
| logD: | 4.3249 |
| logSw: | -4.4046 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.055 |
| InChI Key: | KPVQRZDFLZJYMI-UHFFFAOYSA-N |