2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile
Compound characteristics
Compound ID: | 8016-4537 |
Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile |
Molecular Weight: | 373.37 |
Molecular Formula: | C21 H15 N3 O4 |
Smiles: | CN1C(C2C(C(C#N)=C(N)OC=2c2ccccc12)c1ccc2c(c1)OCO2)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.0805 |
logD: | 2.0805 |
logSw: | -3.1073 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.033 |
InChI Key: | IPMLGLQHGICWNB-QGZVFWFLSA-N |