2-(2-chloro-4-nitrophenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-chloro-4-nitrophenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(2-chloro-4-nitrophenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-0246 |
| Compound Name: | 2-(2-chloro-4-nitrophenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 370.79 |
| Molecular Formula: | C19 H15 Cl N2 O4 |
| Smiles: | CC(C)c1ccc(/C=C2/C(=O)OC(c3ccc(cc3[Cl])[N+]([O-])=O)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0701 |
| logD: | 5.0701 |
| logSw: | -5.4639 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.757 |
| InChI Key: | NROXZPRPUYFZES-UHFFFAOYSA-N |