4-{[(2,6-dimethylphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[(2,6-dimethylphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-{[(2,6-dimethylphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-2153 |
| Compound Name: | 4-{[(2,6-dimethylphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 484.59 |
| Molecular Formula: | C26 H29 F N2 O4 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(Nc1c(C)cccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.734 |
| logD: | 5.734 |
| logSw: | -5.3984 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.636 |
| InChI Key: | ZPNIQDRETZUAFR-UHFFFAOYSA-N |