5-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
5-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-8135 |
| Compound Name: | 5-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 492.63 |
| Molecular Formula: | C25 H36 N2 O6 S |
| Smiles: | CC(C)(C)CC(N(CCN(C)C)Cc1ccc(c(c1)OS(c1ccc(cc1)OC)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8122 |
| logD: | 2.9233 |
| logSw: | -4.0589 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.06 |
| InChI Key: | FYOFSAAUZRXJGN-UHFFFAOYSA-N |