2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile--piperazine (1/1)
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile--piperazine (1/1)
2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile--piperazine (1/1)
Compound characteristics
Compound ID: | 2045-2298 |
Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile--piperazine (1/1) |
Molecular Weight: | 394.43 |
Molecular Formula: | C17 H12 N2 O4 |
Salt: | NH(CH2CH2)2NH |
Smiles: | C1Oc2ccc(cc2O1)C1C(C#N)=C(N)Oc2cc(ccc12)O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.2105 |
logD: | 2.2102 |
logSw: | -2.4868 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 81.026 |
InChI Key: | CZEKQECKTGRWKB-INIZCTEOSA-N |