2-amino-4-[6-(2-chloropropyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[6-(2-chloropropyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[6-(2-chloropropyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8019-6895 |
| Compound Name: | 2-amino-4-[6-(2-chloropropyl)-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 474.94 |
| Molecular Formula: | C24 H27 Cl N2 O6 |
| Smiles: | CC(Cc1c(C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)c(c2c(c1OC)OCO2)OC)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7169 |
| logD: | 3.7169 |
| logSw: | -4.2262 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.52 |
| InChI Key: | JASONTUHQHRIIS-UHFFFAOYSA-N |