4-(3-methoxyphenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
4-(3-methoxyphenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
4-(3-methoxyphenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-8660 |
| Compound Name: | 4-(3-methoxyphenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C21 H18 N2 O3 |
| Smiles: | COc1cccc(c1)C1C(C#N)=C(n2cccc2)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3965 |
| logD: | 3.3965 |
| logSw: | -3.8483 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.928 |
| InChI Key: | NMEXMOMBXLCOJT-LJQANCHMSA-N |