3-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
3-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl propane-2-sulfonate
3-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V002-5475 |
| Compound Name: | 3-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 371.49 |
| Molecular Formula: | C18 H29 N O5 S |
| Smiles: | CC(C)CC(N(CCOC)Cc1cccc(c1)OS(C(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7569 |
| logD: | 2.7569 |
| logSw: | -3.1914 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.548 |
| InChI Key: | IIFBHDSIURTERM-UHFFFAOYSA-N |