2-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
2-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4729 |
| Compound Name: | 2-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 470.99 |
| Molecular Formula: | C22 H28 Cl F N2 O4 S |
| Smiles: | CC(C)CN(Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7558 |
| logD: | 5.7558 |
| logSw: | -5.9022 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.536 |
| InChI Key: | SNIIGUJWSMUNKY-UHFFFAOYSA-N |