3-[(4-chlorophenyl)carbamamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)carbamamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide
3-[(4-chlorophenyl)carbamamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | K784-8691 |
| Compound Name: | 3-[(4-chlorophenyl)carbamamido]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-[(2,4,6-trifluorophenyl)methyl]benzamide |
| Molecular Weight: | 622.05 |
| Molecular Formula: | C32 H27 Cl F3 N5 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NC(Nc1ccc(cc1)[Cl])=O)C(NCc1c(cc(cc1F)F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.635 |
| logD: | 6.6341 |
| logSw: | -6.574 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.107 |
| InChI Key: | WLTULTJBMOLVGR-UHFFFAOYSA-N |