3-(3,4-dimethoxybenzene-1-sulfonyl)-1,3,5-triazabicyclo[3.2.1]octane
Chemical Structure Depiction of
3-(3,4-dimethoxybenzene-1-sulfonyl)-1,3,5-triazabicyclo[3.2.1]octane
3-(3,4-dimethoxybenzene-1-sulfonyl)-1,3,5-triazabicyclo[3.2.1]octane
Compound characteristics
| Compound ID: | 8016-5936 |
| Compound Name: | 3-(3,4-dimethoxybenzene-1-sulfonyl)-1,3,5-triazabicyclo[3.2.1]octane |
| Molecular Weight: | 313.37 |
| Molecular Formula: | C13 H19 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)S(N1CN2CCN(C2)C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0234 |
| logD: | 0.9272 |
| logSw: | -2.3563 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.208 |
| InChI Key: | XGARRRKDROJFCD-UHFFFAOYSA-N |