N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,5-dimethoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,5-dimethoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,5-dimethoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K623-0279 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,5-dimethoxybenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 659.14 |
| Molecular Formula: | C35 H35 Cl N4 O7 |
| Smiles: | COc1cc(cc(c1)OC)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1cc(c(cc1OC)OC)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.005 |
| logD: | 5.6586 |
| logSw: | -6.1973 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.224 |
| InChI Key: | MJYKVHOCJFMHEA-UHFFFAOYSA-N |