N-methyl-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[2-(pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxybenzamido)benzamide
Chemical Structure Depiction of
N-methyl-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[2-(pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxybenzamido)benzamide
N-methyl-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[2-(pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxybenzamido)benzamide
Compound characteristics
| Compound ID: | K623-0531 |
| Compound Name: | N-methyl-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[2-(pyridin-2-yl)ethyl]-3-(3,4,5-trimethoxybenzamido)benzamide |
| Molecular Weight: | 637.74 |
| Molecular Formula: | C36 H39 N5 O6 |
| Smiles: | CN(CCc1ccccn1)C(c1ccc(c(c1)NC(c1cc(c(c(c1)OC)OC)OC)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7826 |
| logD: | 3.7811 |
| logSw: | -4.135 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.132 |
| InChI Key: | QWNDICRNQFZUBF-UHFFFAOYSA-N |