N-{5-[(5-chloro-2-methylphenyl)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-[(5-chloro-2-methylphenyl)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-[(5-chloro-2-methylphenyl)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: | K623-0740 |
| Compound Name: | N-{5-[(5-chloro-2-methylphenyl)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: | 643.14 |
| Molecular Formula: | C35 H35 Cl N4 O6 |
| Smiles: | Cc1ccc(cc1NC(c1ccc(c(c1)NC(c1cc(c(c(c1)OC)OC)OC)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6787 |
| logD: | 5.6517 |
| logSw: | -5.9499 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.854 |
| InChI Key: | NFQXYOTWIZUDEQ-UHFFFAOYSA-N |