4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]-3-[3-(trifluoromethyl)benzamido]benzamide
Chemical Structure Depiction of
4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]-3-[3-(trifluoromethyl)benzamido]benzamide
4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]-3-[3-(trifluoromethyl)benzamido]benzamide
Compound characteristics
| Compound ID: | K781-1817 |
| Compound Name: | 4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]-3-[3-(trifluoromethyl)benzamido]benzamide |
| Molecular Weight: | 592.64 |
| Molecular Formula: | C31 H27 F3 N4 O3 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(c1cccc(c1)C(F)(F)F)=O)C(NCc1cccs1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6869 |
| logD: | 5.2585 |
| logSw: | -6.0412 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.914 |
| InChI Key: | LKOWUQWKLRJPRZ-UHFFFAOYSA-N |