4-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
4-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
4-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-2181 |
| Compound Name: | 4-{4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl}-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 486.95 |
| Molecular Formula: | C28 H23 Cl N2 O4 |
| Smiles: | COc1cc(ccc1OCc1ccccc1[Cl])C1C(C#N)=C(n2cccc2)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0546 |
| logD: | 5.0546 |
| logSw: | -5.461 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.329 |
| InChI Key: | LCGFOOYUGNXFRW-AREMUKBSSA-N |