5-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-8625 |
| Compound Name: | 5-({N-[2-(dimethylamino)ethyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 519.66 |
| Molecular Formula: | C26 H37 N3 O6 S |
| Salt: | not_available |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1cc(CN(CCN(C)C)C(CC(C)(C)C)=O)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.031 |
| logD: | 2.1422 |
| logSw: | -3.5666 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.778 |
| InChI Key: | JKLCUMHCAJEKFQ-UHFFFAOYSA-N |