2-(3-nitrophenyl)-4-{[3-(trifluoromethyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
2-(3-nitrophenyl)-4-{[3-(trifluoromethyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
2-(3-nitrophenyl)-4-{[3-(trifluoromethyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 2124-0421 |
| Compound Name: | 2-(3-nitrophenyl)-4-{[3-(trifluoromethyl)phenyl]methylidene}-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 362.26 |
| Molecular Formula: | C17 H9 F3 N2 O4 |
| Smiles: | C(=C1/C(=O)OC(c2cccc(c2)[N+]([O-])=O)=N1)/c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.0543 |
| logD: | 4.0543 |
| logSw: | -4.4058 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.757 |
| InChI Key: | QKRMWJQIIAZFHA-UHFFFAOYSA-N |