2-(2-methyl-3-nitrophenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-methyl-3-nitrophenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(2-methyl-3-nitrophenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1560 |
| Compound Name: | 2-(2-methyl-3-nitrophenyl)-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C20 H18 N2 O4 |
| Smiles: | CC(C)c1ccc(\C=C2/C(=O)OC(c3cccc(c3C)[N+]([O-])=O)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8184 |
| logD: | 4.8184 |
| logSw: | -4.7033 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.456 |
| InChI Key: | BATUWVQHLSQVIJ-UHFFFAOYSA-N |