3-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-0236 |
| Compound Name: | 3-{[tert-butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 436.54 |
| Molecular Formula: | C22 H29 F N2 O4 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9956 |
| logD: | 4.9956 |
| logSw: | -4.6959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.449 |
| InChI Key: | ZCBVTNUHUFPSAE-UHFFFAOYSA-N |