N-(2,3-dimethylcyclohexyl)-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-(2,3-dimethylcyclohexyl)-N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)glycinamide
N-(2,3-dimethylcyclohexyl)-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: | K784-8916 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-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: | 416.58 |
| Molecular Formula: | C22 H32 N4 O2 S |
| Smiles: | CC1CCCC(C1C)NC(CNC(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1187 |
| logD: | 3.1187 |
| logSw: | -3.3912 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.745 |
| InChI Key: | JXDLLZKJJIQKJX-UHFFFAOYSA-N |