N-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-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: | K781-1640 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-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: | 621.06 |
| Molecular Formula: | C33 H28 Cl F3 N4 O3 |
| Smiles: | Cc1ccc(cc1NC(c1ccc(c(c1)NC(c1cccc(c1)C(F)(F)F)=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7013 |
| logD: | 5.7814 |
| logSw: | -6.3546 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.876 |
| InChI Key: | RTDASENGVYZNCD-UHFFFAOYSA-N |