N-benzyl-4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzamide
Chemical Structure Depiction of
N-benzyl-4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzamide
N-benzyl-4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzamide
Compound characteristics
Compound ID: | K786-1237 |
Compound Name: | N-benzyl-4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzamide |
Molecular Weight: | 458.58 |
Molecular Formula: | C26 H26 N4 O2 S |
Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(Nc1ccc(cc1)C(NCc1ccccc1)=O)=S |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.8919 |
logD: | 3.8919 |
logSw: | -4.2833 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 51.249 |
InChI Key: | WVDULBDKKYNMFY-UHFFFAOYSA-N |