4-{[2,2-dimethyl-N-(2-methylpropyl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[2,2-dimethyl-N-(2-methylpropyl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-{[2,2-dimethyl-N-(2-methylpropyl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V017-3039 |
| Compound Name: | 4-{[2,2-dimethyl-N-(2-methylpropyl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 421.53 |
| Molecular Formula: | C22 H28 F N O4 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9444 |
| logD: | 4.9444 |
| logSw: | -4.5594 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.482 |
| InChI Key: | AOEWVUAYKJOOES-UHFFFAOYSA-N |