N-[(2H-1,3-benzodioxol-5-yl)methyl]-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-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | K784-8900 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-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: | 440.52 |
| Molecular Formula: | C22 H24 N4 O4 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(NCC(NCc1ccc2c(c1)OCO2)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6365 |
| logD: | 2.6365 |
| logSw: | -3.0935 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.745 |
| InChI Key: | XXURQAOSBNFUAJ-UHFFFAOYSA-N |