ethyl 4-[4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-(3,4,5-trimethoxybenzamido)benzoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-(3,4,5-trimethoxybenzamido)benzoyl]piperazine-1-carboxylate
ethyl 4-[4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-(3,4,5-trimethoxybenzamido)benzoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K623-0300 |
| Compound Name: | ethyl 4-[4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-(3,4,5-trimethoxybenzamido)benzoyl]piperazine-1-carboxylate |
| Molecular Weight: | 659.74 |
| Molecular Formula: | C35 H41 N5 O8 |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(c(c1)NC(c1cc(c(c(c1)OC)OC)OC)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.558 |
| logD: | 3.5568 |
| logSw: | -3.7768 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.889 |
| InChI Key: | OSNRDJQHBROAND-UHFFFAOYSA-N |