4-(2,3-dimethoxyphenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
4-(2,3-dimethoxyphenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
4-(2,3-dimethoxyphenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-7998 |
| Compound Name: | 4-(2,3-dimethoxyphenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 376.41 |
| Molecular Formula: | C22 H20 N2 O4 |
| Smiles: | COc1cccc(C2C(C#N)=C(n3cccc3)OC3CCCC(C2=3)=O)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4194 |
| logD: | 3.4194 |
| logSw: | -3.8156 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.732 |
| InChI Key: | JFROSZIKKOWQSJ-LJQANCHMSA-N |