2-(2-chloro-5-nitrophenyl)-4-{[4-(dimethylamino)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(2-chloro-5-nitrophenyl)-4-{[4-(dimethylamino)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(2-chloro-5-nitrophenyl)-4-{[4-(dimethylamino)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | K088-3112 |
| Compound Name: | 2-(2-chloro-5-nitrophenyl)-4-{[4-(dimethylamino)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 371.78 |
| Molecular Formula: | C18 H14 Cl N3 O4 |
| Smiles: | CN(C)c1ccc(/C=C2/C(=O)OC(c3cc(ccc3[Cl])[N+]([O-])=O)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7891 |
| logD: | 3.789 |
| logSw: | -4.4068 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.562 |
| InChI Key: | MUBLQQRZWQTYQX-UHFFFAOYSA-N |