3-[2-(2-chloro-6-fluorophenyl)acetamido]-N-(3,4-dimethoxyphenyl)-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
3-[2-(2-chloro-6-fluorophenyl)acetamido]-N-(3,4-dimethoxyphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-[2-(2-chloro-6-fluorophenyl)acetamido]-N-(3,4-dimethoxyphenyl)-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: | K623-0023 |
| Compound Name: | 3-[2-(2-chloro-6-fluorophenyl)acetamido]-N-(3,4-dimethoxyphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 631.1 |
| Molecular Formula: | C34 H32 Cl F N4 O5 |
| Smiles: | COc1ccc(cc1OC)NC(c1ccc(c(c1)NC(Cc1c(cccc1[Cl])F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2755 |
| logD: | 5.1698 |
| logSw: | -5.9275 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.621 |
| InChI Key: | KFTCOUOCNAONHS-UHFFFAOYSA-N |