2-amino-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-7-(dimethylamino)-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-7-(dimethylamino)-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-7-(dimethylamino)-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-2236 |
| Compound Name: | 2-amino-4-(4,7-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)c1cc(c2c(c1OC)OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8291 |
| logD: | 2.8281 |
| logSw: | -3.303 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.93 |
| InChI Key: | PCKCXOUJKPGAJK-QGZVFWFLSA-N |