2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-1599 |
| Compound Name: | 2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 470.99 |
| Molecular Formula: | C22 H28 Cl F N2 O4 S |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7818 |
| logD: | 5.7818 |
| logSw: | -5.8989 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.864 |
| InChI Key: | XCLBMXYZWIKTKB-HNNXBMFYSA-N |