rel-(1R,6S)-8-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,8-diazabicyclo[4.2.0]octane-3-carboxamide
Chemical Structure Depiction of
rel-(1R,6S)-8-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,8-diazabicyclo[4.2.0]octane-3-carboxamide
rel-(1R,6S)-8-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,8-diazabicyclo[4.2.0]octane-3-carboxamide
Compound characteristics
| Compound ID: | S616-0139 |
| Compound Name: | rel-(1R,6S)-8-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,8-diazabicyclo[4.2.0]octane-3-carboxamide |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C22 H25 N3 O3 |
| Smiles: | C1CN(C[C@@H]2[C@H]1CN2Cc1ccccc1)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1777 |
| logD: | -1.3614 |
| logSw: | -2.9338 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.645 |
| InChI Key: | LCLIDFPLDMAOSC-HKUYNNGSSA-N |