4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-2182 |
| Compound Name: | 4-{4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C30 H27 F N2 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(n3cccc3)O2)c2ccc(c(c2)OC)OCc2ccccc2F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.255 |
| logD: | 5.255 |
| logSw: | -5.1271 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.329 |
| InChI Key: | GIUIYPDPNDIMPH-HHHXNRCGSA-N |