2-amino-4-{2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-0504 |
| Compound Name: | 2-amino-4-{2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl}-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 486.5 |
| Molecular Formula: | C28 H23 F N2 O5 |
| Smiles: | COc1cccc(C2C(C#N)=C(N)OC3CC(CC(C2=3)=O)c2ccco2)c1OCc1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3047 |
| logD: | 4.3047 |
| logSw: | -4.8252 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.94 |
| InChI Key: | DHULOXQTPVNLCX-UHFFFAOYSA-N |