3-{[butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-5133 |
| Compound Name: | 3-{[butyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 436.54 |
| Molecular Formula: | C22 H29 F N2 O4 S |
| Smiles: | CCCCNC(N(CC(C)C)Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2524 |
| logD: | 5.2524 |
| logSw: | -5.0412 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.467 |
| InChI Key: | NLZHJCGBVKYRBP-UHFFFAOYSA-N |