6-ethyl-N-phenyl-1,2,3,4,8,9,10,11-octahydro-8,11a-methanopyrimido[1,2-a]azocine-7-carboxamide
Chemical Structure Depiction of
6-ethyl-N-phenyl-1,2,3,4,8,9,10,11-octahydro-8,11a-methanopyrimido[1,2-a]azocine-7-carboxamide
6-ethyl-N-phenyl-1,2,3,4,8,9,10,11-octahydro-8,11a-methanopyrimido[1,2-a]azocine-7-carboxamide
Compound characteristics
| Compound ID: | S514-0047 |
| Compound Name: | 6-ethyl-N-phenyl-1,2,3,4,8,9,10,11-octahydro-8,11a-methanopyrimido[1,2-a]azocine-7-carboxamide |
| Molecular Weight: | 325.45 |
| Molecular Formula: | C20 H27 N3 O |
| Smiles: | CCC1=C(C2CCCC3(C2)NCCCN13)C(Nc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1543 |
| logD: | 0.801 |
| logSw: | -3.3563 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.4 |
| InChI Key: | BQYULDJHJNJLQU-UHFFFAOYSA-N |