N-[2-(azepan-1-yl)ethyl]-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-[2-(azepan-1-yl)ethyl]-N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)glycinamide
N-[2-(azepan-1-yl)ethyl]-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: | K784-8903 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-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: | 431.6 |
| Molecular Formula: | C22 H33 N5 O2 S |
| Smiles: | C1CCCN(CC1)CCNC(CNC(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2398 |
| logD: | 0.7542 |
| logSw: | -2.4042 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.784 |
| InChI Key: | VJBAGWRBSNRCRN-UHFFFAOYSA-N |