4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(2-phenylethyl)-3-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)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-(2-phenylethyl)-3-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)benzamide
4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(2-phenylethyl)-3-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)benzamide
Compound characteristics
| Compound ID: | K784-8513 |
| Compound Name: | 4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(2-phenylethyl)-3-({[3-(trifluoromethyl)phenyl]carbamothioyl}amino)benzamide |
| Molecular Weight: | 631.72 |
| Molecular Formula: | C34 H32 F3 N5 O2 S |
| Smiles: | C(CNC(c1ccc(c(c1)NC(Nc1cccc(c1)C(F)(F)F)=S)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7073 |
| logD: | 6.7072 |
| logSw: | -6.3593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.468 |
| InChI Key: | JGNFXVYEFOTHIB-UHFFFAOYSA-N |