4-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
4-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-6847 |
| Compound Name: | 4-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C24 H34 N2 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(N(CCN(C)C)Cc1ccc(cc1)OS(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0753 |
| logD: | 3.1865 |
| logSw: | -4.1838 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.343 |
| InChI Key: | KOCREEWOFCMJRO-UHFFFAOYSA-N |