6-chloro-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)pyridine-3-carboxamide
Chemical Structure Depiction of
6-chloro-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)pyridine-3-carboxamide
6-chloro-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)pyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8017-4425 |
| Compound Name: | 6-chloro-N-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioyl)pyridine-3-carboxamide |
| Molecular Weight: | 388.87 |
| Molecular Formula: | C18 H17 Cl N4 O2 S |
| Smiles: | C1[C@H]2CN(C[C@H]1CN1C2=CC=CC1=O)C(NC(c1ccc(nc1)[Cl])=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3556 |
| logD: | 2.3497 |
| logSw: | -3.3976 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.019 |
| InChI Key: | HUEFDFDIPRZVQL-YPMHNXCESA-N |