N-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
N-(2,5-dimethylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Compound characteristics
| Compound ID: | 3342-1918 |
| Compound Name: | N-(2,5-dimethylphenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide |
| Molecular Weight: | 353.48 |
| Molecular Formula: | C20 H23 N3 O S |
| Smiles: | Cc1ccc(C)c(c1)NC(N1CC2CC(C1)C1=CC=CC(N1C2)=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7798 |
| logD: | 3.7798 |
| logSw: | -3.8735 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.1378 |
| InChI Key: | AFJDHLHSKUMIRV-UHFFFAOYSA-N |