5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-8003 |
| Compound Name: | 5-oxo-4-(pyridin-3-yl)-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 317.35 |
| Molecular Formula: | C19 H15 N3 O2 |
| Smiles: | C1CC2=C(C(C(C#N)=C(n3cccc3)O2)c2cccnc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3044 |
| logD: | 2.3044 |
| logSw: | -2.2171 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.903 |
| InChI Key: | GMMUCOITMAKCNB-QGZVFWFLSA-N |