4-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl propane-2-sulfonate
4-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V027-2070 |
| Compound Name: | 4-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl propane-2-sulfonate |
| Molecular Weight: | 398.56 |
| Molecular Formula: | C20 H34 N2 O4 S |
| Smiles: | CC(C)S(=O)(=O)Oc1ccc(CN(CCN(C)C)C(CC(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2183 |
| logD: | 2.3295 |
| logSw: | -3.3506 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.071 |
| InChI Key: | BFYYLEKTXBSSDG-UHFFFAOYSA-N |