N-{3-[butyl(phenyl)amino]propyl}-N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)glycinamide
Chemical Structure Depiction of
N-{3-[butyl(phenyl)amino]propyl}-N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)glycinamide
N-{3-[butyl(phenyl)amino]propyl}-N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)glycinamide
Compound characteristics
| Compound ID: | K784-8932 |
| Compound Name: | N-{3-[butyl(phenyl)amino]propyl}-N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)glycinamide |
| Molecular Weight: | 495.69 |
| Molecular Formula: | C27 H37 N5 O2 S |
| Smiles: | CCCCN(CCCNC(CNC(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=S)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1849 |
| logD: | 4.1562 |
| logSw: | -3.8965 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.714 |
| InChI Key: | MTQOLVRKFHRGDF-UHFFFAOYSA-N |