4-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-5816 |
| Compound Name: | 4-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 462.56 |
| Molecular Formula: | C23 H30 N2 O6 S |
| Smiles: | CC(C)CC(N(CCOC)Cc1ccc(cc1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7907 |
| logD: | 2.7906 |
| logSw: | -3.4236 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.538 |
| InChI Key: | SJZPEIHBULKAJB-UHFFFAOYSA-N |