2-amino-7-hydroxy-4-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7-hydroxy-4-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1-benzopyran-3-carbonitrile
2-amino-7-hydroxy-4-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1-benzopyran-3-carbonitrile
Compound characteristics
Compound ID: | 8020-6821 |
Compound Name: | 2-amino-7-hydroxy-4-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1-benzopyran-3-carbonitrile |
Molecular Weight: | 352.34 |
Molecular Formula: | C19 H16 N2 O5 |
Smiles: | COc1cc(cc2c1OCCO2)C1C(C#N)=C(N)Oc2cc(ccc12)O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.4511 |
logD: | 1.4508 |
logSw: | -2.0253 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 87.049 |
InChI Key: | CYORCIMMOAOBQQ-QGZVFWFLSA-N |