3-nitrophenyl 2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxylate
Chemical Structure Depiction of
3-nitrophenyl 2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxylate
3-nitrophenyl 2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K786-1525 |
| Compound Name: | 3-nitrophenyl 2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)pyridine-3-carboxylate |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1c(cccn1)C(=O)Oc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2022 |
| logD: | 5.2022 |
| logSw: | -5.0475 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.055 |
| InChI Key: | VPYFBCIKZIHNPB-UHFFFAOYSA-N |