dimethyl 5-{3-[2-(2-chloro-6-fluorophenyl)acetamido]-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-(2-chloro-6-fluorophenyl)acetamido]-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-(2-chloro-6-fluorophenyl)acetamido]-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: | K623-0122 |
| Compound Name: | dimethyl 5-{3-[2-(2-chloro-6-fluorophenyl)acetamido]-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: | 687.13 |
| Molecular Formula: | C36 H32 Cl F N4 O7 |
| Smiles: | COC(c1cc(cc(c1)NC(c1ccc(c(c1)NC(Cc1c(cccc1[Cl])F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2295 |
| logD: | 6.1237 |
| logSw: | -6.2383 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.708 |
| InChI Key: | DDMYYTWPIVIUPX-UHFFFAOYSA-N |