4-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-8663 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 388.42 |
| Molecular Formula: | C23 H20 N2 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(n3cccc3)O2)c2ccc3c(c2)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9371 |
| logD: | 3.9371 |
| logSw: | -4.1309 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.5 |
| InChI Key: | OOZVQADKAVEMHG-HXUWFJFHSA-N |