3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
Chemical Structure Depiction of
3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
Compound characteristics
| Compound ID: | K781-0993 |
| Compound Name: | 3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)benzamide |
| Molecular Weight: | 650.78 |
| Molecular Formula: | C38 H42 N4 O6 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1cc(c(c(c1)OC)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4175 |
| logD: | 5.8528 |
| logSw: | -5.5648 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.551 |
| InChI Key: | PXCLVNFQUBTSLX-UHFFFAOYSA-N |