dimethyl 5-{3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido}benzene-1,3-dicarboxylate
dimethyl 5-{3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K781-1927 |
| Compound Name: | dimethyl 5-{3-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 688.7 |
| Molecular Formula: | C38 H32 N4 O9 |
| Smiles: | COC(c1cc(cc(c1)NC(c1ccc(c(c1)NC(C1=Cc2ccccc2OC1=O)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5882 |
| logD: | 3.9442 |
| logSw: | -5.4903 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 127.843 |
| InChI Key: | TYUVADGOSHBWNX-UHFFFAOYSA-N |