2-amino-4-[4-(morpholin-4-yl)-3-nitrophenyl]-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[4-(morpholin-4-yl)-3-nitrophenyl]-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
2-amino-4-[4-(morpholin-4-yl)-3-nitrophenyl]-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Compound characteristics
Compound ID: | K638-0136 |
Compound Name: | 2-amino-4-[4-(morpholin-4-yl)-3-nitrophenyl]-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile |
Molecular Weight: | 446.42 |
Molecular Formula: | C23 H18 N4 O6 |
Smiles: | C1COCCN1c1ccc(cc1[N+]([O-])=O)C1C(C#N)=C(N)OC2=C1C(=O)Oc1ccccc12 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.1246 |
logD: | 2.1246 |
logSw: | -3.2538 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 111.84 |
InChI Key: | URTXOHFIYIJXNU-LJQANCHMSA-N |