2-[2-(3-nitrophenyl)ethenyl]-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-[2-(3-nitrophenyl)ethenyl]-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-[2-(3-nitrophenyl)ethenyl]-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-1016 |
| Compound Name: | 2-[2-(3-nitrophenyl)ethenyl]-4-{[4-(propan-2-yl)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 362.38 |
| Molecular Formula: | C21 H18 N2 O4 |
| Smiles: | CC(C)c1ccc(\C=C2/C(=O)OC(/C=C\c3cccc(c3)[N+]([O-])=O)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2273 |
| logD: | 5.2273 |
| logSw: | -5.1684 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.903 |
| InChI Key: | UVGAHUKNYYCIRH-UHFFFAOYSA-N |