N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)-N-(2-phenylethyl)glycinamide
Chemical Structure Depiction of
N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)-N-(2-phenylethyl)glycinamide
N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)-N-(2-phenylethyl)glycinamide
Compound characteristics
| Compound ID: | K784-8928 |
| Compound Name: | N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)-N-(2-phenylethyl)glycinamide |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Smiles: | C(CNC(CNC(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=S)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4981 |
| logD: | 2.4981 |
| logSw: | -2.7633 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.471 |
| InChI Key: | VNOCXNWNXIMPDT-UHFFFAOYSA-N |