2-methoxy-5-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
2-methoxy-5-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-8178 |
| Compound Name: | 2-methoxy-5-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C25 H34 N2 O7 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1cc(CN(CCOC)C(CC(C)(C)C)=O)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0432 |
| logD: | 3.0431 |
| logSw: | -3.5207 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.255 |
| InChI Key: | LVVBRTUTPREKAQ-UHFFFAOYSA-N |