N-[2-(cyclohex-1-en-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-(cyclohex-1-en-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-(cyclohex-1-en-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: | K784-8914 |
| Compound Name: | N-[2-(cyclohex-1-en-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: | 414.57 |
| Molecular Formula: | C22 H30 N4 O2 S |
| Smiles: | C1CCC(CCNC(CNC(N2CC3CC(C2)C2=CC=CC(N2C3)=O)=S)=O)=CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8686 |
| logD: | 2.8686 |
| logSw: | -3.1325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.663 |
| InChI Key: | KMGARLDZPCEAQV-UHFFFAOYSA-N |