N-(3-chloro-4-methoxyphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[3-(trifluoromethyl)benzamido]benzamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[3-(trifluoromethyl)benzamido]benzamide
N-(3-chloro-4-methoxyphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[3-(trifluoromethyl)benzamido]benzamide
Compound characteristics
| Compound ID: | K781-1611 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[3-(trifluoromethyl)benzamido]benzamide |
| Molecular Weight: | 637.06 |
| Molecular Formula: | C33 H28 Cl F3 N4 O4 |
| Smiles: | COc1ccc(cc1[Cl])NC(c1ccc(c(c1)NC(c1cccc(c1)C(F)(F)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5566 |
| logD: | 5.6366 |
| logSw: | -6.3592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.204 |
| InChI Key: | IGZJRCCWMGGNAM-UHFFFAOYSA-N |