4-{[4-(dimethylamino)phenyl]methylidene}-3-(3-nitrophenyl)-1,2-oxazol-5(4H)-one
Chemical Structure Depiction of
4-{[4-(dimethylamino)phenyl]methylidene}-3-(3-nitrophenyl)-1,2-oxazol-5(4H)-one
4-{[4-(dimethylamino)phenyl]methylidene}-3-(3-nitrophenyl)-1,2-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 5960-2037 |
| Compound Name: | 4-{[4-(dimethylamino)phenyl]methylidene}-3-(3-nitrophenyl)-1,2-oxazol-5(4H)-one |
| Molecular Weight: | 337.33 |
| Molecular Formula: | C18 H15 N3 O4 |
| Smiles: | CN(C)c1ccc(\C=C2/C(c3cccc(c3)[N+]([O-])=O)=NOC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4291 |
| logD: | 3.429 |
| logSw: | -3.7802 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.878 |
| InChI Key: | ZLGAVCDOBWWZJO-UHFFFAOYSA-N |