N-(2-fluorophenyl)-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-fluorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
N-(2-fluorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Compound characteristics
| Compound ID: | 8018-0964 |
| Compound Name: | N-(2-fluorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide |
| Molecular Weight: | 343.42 |
| Molecular Formula: | C18 H18 F N3 O S |
| Smiles: | C1[C@H]2CN(C[C@H]1CN1C2=CC=CC1=O)C(Nc1ccccc1F)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5187 |
| logD: | 3.5187 |
| logSw: | -3.6593 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.1378 |
| InChI Key: | MDUBHQXXFVABLX-OLZOCXBDSA-N |