dimethyl 5-[(4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
Compound ID: | E146-0425 |
Compound Name: | dimethyl 5-[(4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carbonyl)amino]benzene-1,3-dicarboxylate |
Molecular Weight: | 408.37 |
Molecular Formula: | C21 H16 N2 O7 |
Smiles: | COC(c1cc(cc(c1)NC(c1c2COc3ccccc3c2on1)=O)C(=O)OC)=O |
Stereo: | ACHIRAL |
logP: | 3.8566 |
logD: | 3.8564 |
logSw: | -4.1519 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 96.208 |
InChI Key: | IENMXLJSRAUKLD-UHFFFAOYSA-N |