5-oxo-2-(1H-pyrrol-1-yl)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
5-oxo-2-(1H-pyrrol-1-yl)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
5-oxo-2-(1H-pyrrol-1-yl)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-8000 |
| Compound Name: | 5-oxo-2-(1H-pyrrol-1-yl)-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C23 H22 N2 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C(C#N)=C(n2cccc2)OC2CCCC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.183 |
| logD: | 3.183 |
| logSw: | -3.5079 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.363 |
| InChI Key: | VZXOEOGJQGLIPD-HXUWFJFHSA-N |