2-{[N-(2-methoxyethyl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(2-methoxyethyl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
2-{[N-(2-methoxyethyl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-6272 |
| Compound Name: | 2-{[N-(2-methoxyethyl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C22 H28 N2 O6 S |
| Smiles: | CC(C)C(N(CCOC)Cc1ccccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6422 |
| logD: | 2.6421 |
| logSw: | -3.2574 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.152 |
| InChI Key: | OQHFUMRLDVIVQO-UHFFFAOYSA-N |