4-(4-hydroxyphenyl)-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-hydroxyphenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
4-(4-hydroxyphenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-8722 |
| Compound Name: | 4-(4-hydroxyphenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C22 H20 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(n3cccc3)O2)c2ccc(cc2)O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3644 |
| logD: | 3.3642 |
| logSw: | -3.2762 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.002 |
| InChI Key: | TUVOCNAXTJOGEE-LJQANCHMSA-N |