8-oxo-N-(prop-2-en-1-yl)-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Chemical Structure Depiction of
8-oxo-N-(prop-2-en-1-yl)-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
8-oxo-N-(prop-2-en-1-yl)-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Compound characteristics
| Compound ID: | N094-0001 |
| Compound Name: | 8-oxo-N-(prop-2-en-1-yl)-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide |
| Molecular Weight: | 289.4 |
| Molecular Formula: | C15 H19 N3 O S |
| Smiles: | C=CCNC(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0787 |
| logD: | 2.0787 |
| logSw: | -2.3198 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.2708 |
| InChI Key: | UUSNTIGQBXXETA-UHFFFAOYSA-N |