N-[2-chloro-5-(trifluoromethyl)phenyl]-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-chloro-5-(trifluoromethyl)phenyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Compound characteristics
| Compound ID: | 8016-8106 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide |
| Molecular Weight: | 427.87 |
| Molecular Formula: | C19 H17 Cl F3 N3 O S |
| Smiles: | C1[C@H]2CN(C[C@H]1CN1C2=CC=CC1=O)C(Nc1cc(ccc1[Cl])C(F)(F)F)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9635 |
| logD: | 4.9633 |
| logSw: | -5.2334 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.1378 |
| InChI Key: | CRFOFYRSIBPBIW-NEPJUHHUSA-N |