2-amino-4-(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-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(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: | 8009-8779 |
Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
Molecular Weight: | 338.36 |
Molecular Formula: | C19 H18 N2 O4 |
Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc3c(c2)OCO3)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.3146 |
logD: | 2.3146 |
logSw: | -2.8603 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.718 |
InChI Key: | CIUUDCOYHBMQHM-MRXNPFEDSA-N |