rel-(1R,5S)-N-(3,4-dimethoxyphenyl)-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide
Chemical Structure Depiction of
rel-(1R,5S)-N-(3,4-dimethoxyphenyl)-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide
rel-(1R,5S)-N-(3,4-dimethoxyphenyl)-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide
Compound characteristics
| Compound ID: | SD24-0079 |
| Compound Name: | rel-(1R,5S)-N-(3,4-dimethoxyphenyl)-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C18 H26 N4 O4 |
| Smiles: | [H][C@]12CN(CC)C[C@]([H])(CN(C1)C(Nc1ccc(c(c1)OC)OC)=O)C(N2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3638 |
| logD: | -1.8008 |
| logSw: | -2.0432 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.23 |
| InChI Key: | UHJBLCDFIPMIHT-OCCSQVGLSA-N |