N-butyl-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-butyl-4-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)amino]benzamide
N-butyl-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: | K786-0512 |
| Compound Name: | N-butyl-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: | 424.56 |
| Molecular Formula: | C23 H28 N4 O2 S |
| Smiles: | CCCCNC(c1ccc(cc1)NC(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7044 |
| logD: | 3.7044 |
| logSw: | -3.8893 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.362 |
| InChI Key: | BFOHZFLGXGUKMG-UHFFFAOYSA-N |