3,4,5-trimethoxy-N-[5-{[2-(methylsulfanyl)phenyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-N-[5-{[2-(methylsulfanyl)phenyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzamide
3,4,5-trimethoxy-N-[5-{[2-(methylsulfanyl)phenyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | K623-0773 |
| Compound Name: | 3,4,5-trimethoxy-N-[5-{[2-(methylsulfanyl)phenyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]benzamide |
| Molecular Weight: | 640.76 |
| Molecular Formula: | C35 H36 N4 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1ccccc1SC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2771 |
| logD: | 5.2501 |
| logSw: | -5.1481 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.854 |
| InChI Key: | PCYUBDZPOGEVOL-UHFFFAOYSA-N |