N-benzyl-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-benzyl-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
N-benzyl-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Compound characteristics
| Compound ID: | Y010-1994 |
| Compound Name: | N-benzyl-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide |
| Molecular Weight: | 339.46 |
| Molecular Formula: | C19 H21 N3 O S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(NCc1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9616 |
| logD: | 2.9616 |
| logSw: | -3.2984 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.1577 |
| InChI Key: | DDJSRCGMAWOKIV-UHFFFAOYSA-N |