rel-(1R,5R)-N-(3,4-dichlorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Chemical Structure Depiction of
rel-(1R,5R)-N-(3,4-dichlorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
rel-(1R,5R)-N-(3,4-dichlorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Compound characteristics
| Compound ID: | K062-0071 |
| Compound Name: | rel-(1R,5R)-N-(3,4-dichlorophenyl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide |
| Molecular Weight: | 378.26 |
| Molecular Formula: | C18 H17 Cl2 N3 O2 |
| Smiles: | C1[C@@H]2CN(C[C@H]1C1=CC=CC(N1C2)=O)C(Nc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2395 |
| logD: | 4.2389 |
| logSw: | -4.4498 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.406 |
| InChI Key: | RQNGKDNYKFEWBP-RYUDHWBXSA-N |