2-(1,3-dimethyl-1H-pyrazol-4-yl)-6-fluoro-4-oxo-4H-1-benzopyran-3-yl acetate
Chemical Structure Depiction of
2-(1,3-dimethyl-1H-pyrazol-4-yl)-6-fluoro-4-oxo-4H-1-benzopyran-3-yl acetate
2-(1,3-dimethyl-1H-pyrazol-4-yl)-6-fluoro-4-oxo-4H-1-benzopyran-3-yl acetate
Compound characteristics
| Compound ID: | Y505-3237 |
| Compound Name: | 2-(1,3-dimethyl-1H-pyrazol-4-yl)-6-fluoro-4-oxo-4H-1-benzopyran-3-yl acetate |
| Molecular Weight: | 316.29 |
| Molecular Formula: | C16 H13 F N2 O4 |
| Smiles: | CC(=O)OC1=C(c2cn(C)nc2C)Oc2ccc(cc2C1=O)F |
| Stereo: | ACHIRAL |
| logP: | 1.6342 |
| logD: | 1.6342 |
| logSw: | -2.3513 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.509 |
| InChI Key: | SDWWIZXRPMQTHT-UHFFFAOYSA-N |