3-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-5757 |
| Compound Name: | 3-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 437.53 |
| Molecular Formula: | C22 H28 F N O5 S |
| Smiles: | CC(C)(C)CC(N(CCOC)Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1762 |
| logD: | 4.1762 |
| logSw: | -4.339 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.276 |
| InChI Key: | PGSRBSKTISOPQT-UHFFFAOYSA-N |