8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Chemical Structure Depiction of
8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Compound characteristics
| Compound ID: | 8020-4188 |
| Compound Name: | 8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide |
| Molecular Weight: | 249.33 |
| Molecular Formula: | C12 H15 N3 O S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)C(N)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0904 |
| logD: | 1.0904 |
| logSw: | -1.4675 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.171 |
| InChI Key: | UMVWOMQFCBEHRE-UHFFFAOYSA-N |