8-oxo-N-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboximidamide
Chemical Structure Depiction of
8-oxo-N-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboximidamide
8-oxo-N-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboximidamide
Compound characteristics
| Compound ID: | Y021-2144 |
| Compound Name: | 8-oxo-N-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboximidamide |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C20 H24 N6 O2 |
| Smiles: | C1CCC2=C(C1)C(NC(NC(=N)N1C[C@@H]3C[C@H](C1)CN1C3=CC=CC1=O)=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4178 |
| logD: | 0.9273 |
| logSw: | -1.5638 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.337 |
| InChI Key: | YVUJAGJKXPYIHZ-STQMWFEESA-N |