N-[5-{[(4-fluorophenyl)methyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-[5-{[(4-fluorophenyl)methyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-3,4,5-trimethoxybenzamide
N-[5-{[(4-fluorophenyl)methyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | K623-0784 |
| Compound Name: | N-[5-{[(4-fluorophenyl)methyl]carbamoyl}-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 626.69 |
| Molecular Formula: | C35 H35 F N4 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(NCc1ccc(cc1)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7182 |
| logD: | 4.7119 |
| logSw: | -4.5792 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.873 |
| InChI Key: | KPUXEBGRPGLEMV-UHFFFAOYSA-N |