2-amino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-7-(dimethylamino)-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-7-(dimethylamino)-4H-1-benzopyran-3-carbonitrile
2-amino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-7-(dimethylamino)-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-1043 |
| Compound Name: | 2-amino-4-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-7-(dimethylamino)-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C21 H21 N3 O5 |
| Smiles: | CN(C)c1ccc2C(C(C#N)=C(N)Oc2c1)c1cc2c(c(c1OC)OC)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0752 |
| logD: | 3.0742 |
| logSw: | -3.3268 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.332 |
| InChI Key: | JHAPKZPCYGOREM-QGZVFWFLSA-N |