N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Chemical Structure Depiction of
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Compound characteristics
| Compound ID: | K784-8918 |
| Compound Name: | N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide |
| Molecular Weight: | 402.56 |
| Molecular Formula: | C21 H30 N4 O2 S |
| Smiles: | CC1CC(C)CN(C1)C(CNC(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=S)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7966 |
| logD: | 2.7966 |
| logSw: | -3.1986 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.417 |
| InChI Key: | GFFHGEJAIGYURY-UHFFFAOYSA-N |