4-(4-hydroxy-3-methoxyphenyl)-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-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-8664 |
| Compound Name: | 4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C23 H22 N2 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(n3cccc3)O2)c2ccc(c(c2)OC)O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2221 |
| logD: | 3.2217 |
| logSw: | -3.1154 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.563 |
| InChI Key: | OYQIWXWWJQRYOQ-HXUWFJFHSA-N |