N-[2-(4-fluorophenyl)-4-oxo-4H-1-benzopyran-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
Chemical Structure Depiction of
N-[2-(4-fluorophenyl)-4-oxo-4H-1-benzopyran-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
N-[2-(4-fluorophenyl)-4-oxo-4H-1-benzopyran-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
Compound characteristics
| Compound ID: | IB03-8056 |
| Compound Name: | N-[2-(4-fluorophenyl)-4-oxo-4H-1-benzopyran-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide |
| Molecular Weight: | 408.38 |
| Molecular Formula: | C22 H17 F N2 O5 |
| Smiles: | COc1cc(CCC(Nc2ccc3c(c2)C(C=C(c2ccc(cc2)F)O3)=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.45 |
| logD: | 4.45 |
| logSw: | -5.54 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 139.7 |
| InChI Key: | IORBVXAKBJVLEL-UHFFFAOYSA-N |