4-{[(2-chloropyridin-3-yl)amino]methylidene}-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-{[(2-chloropyridin-3-yl)amino]methylidene}-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
4-{[(2-chloropyridin-3-yl)amino]methylidene}-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K091-0183 |
| Compound Name: | 4-{[(2-chloropyridin-3-yl)amino]methylidene}-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 344.71 |
| Molecular Formula: | C15 H9 Cl N4 O4 |
| Smiles: | C(=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1)\Nc1cccnc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.4037 |
| logD: | 2.3996 |
| logSw: | -3.2995 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.345 |
| InChI Key: | GLUWBSZGJZENFU-UHFFFAOYSA-N |