rel-(1R,6S)-8-benzyl-N-(3,4-dimethylphenyl)-3,8-diazabicyclo[4.2.0]octane-3-carboxamide
Chemical Structure Depiction of
rel-(1R,6S)-8-benzyl-N-(3,4-dimethylphenyl)-3,8-diazabicyclo[4.2.0]octane-3-carboxamide
rel-(1R,6S)-8-benzyl-N-(3,4-dimethylphenyl)-3,8-diazabicyclo[4.2.0]octane-3-carboxamide
Compound characteristics
| Compound ID: | S616-0135 |
| Compound Name: | rel-(1R,6S)-8-benzyl-N-(3,4-dimethylphenyl)-3,8-diazabicyclo[4.2.0]octane-3-carboxamide |
| Molecular Weight: | 349.47 |
| Molecular Formula: | C22 H27 N3 O |
| Smiles: | Cc1ccc(cc1C)NC(N1CC[C@@H]2CN(Cc3ccccc3)[C@@H]2C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1926 |
| logD: | 0.6535 |
| logSw: | -4.1754 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.8216 |
| InChI Key: | HSUZKCQXVJGZAZ-FPOVZHCZSA-N |