4-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octane-3-sulfonyl]-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octane-3-sulfonyl]-2,1,3-benzothiadiazole
4-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octane-3-sulfonyl]-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | S616-0159 |
| Compound Name: | 4-[rel-(1R,6S)-8-benzyl-3,8-diazabicyclo[4.2.0]octane-3-sulfonyl]-2,1,3-benzothiadiazole |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C19 H20 N4 O2 S2 |
| Smiles: | C1CN(C[C@@H]2[C@H]1CN2Cc1ccccc1)S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9535 |
| logD: | 2.0147 |
| logSw: | -3.1949 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.016 |
| InChI Key: | RBXJLODESRUNLX-RDJZCZTQSA-N |