dimethyl 5-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(pyridine-4-carbonyl)amino]benzamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(pyridine-4-carbonyl)amino]benzamido}benzene-1,3-dicarboxylate
dimethyl 5-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(pyridine-4-carbonyl)amino]benzamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K623-0131 |
| Compound Name: | dimethyl 5-{4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(pyridine-4-carbonyl)amino]benzamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 621.65 |
| Molecular Formula: | C34 H31 N5 O7 |
| Smiles: | COC(c1cc(cc(c1)NC(c1ccc(c(c1)NC(c1ccncc1)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4823 |
| logD: | 3.3919 |
| logSw: | -4.3168 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.349 |
| InChI Key: | DXWWQIYOBBXWHL-UHFFFAOYSA-N |