4-chloro-2-{[(cyclobutanecarbonyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[(cyclobutanecarbonyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-chloro-2-{[(cyclobutanecarbonyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4776 |
| Compound Name: | 4-chloro-2-{[(cyclobutanecarbonyl)(2-methylpropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 453.96 |
| Molecular Formula: | C22 H25 Cl F N O4 S |
| Smiles: | CC(C)CN(Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])C(C1CCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9877 |
| logD: | 4.9877 |
| logSw: | -5.0163 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.821 |
| InChI Key: | FNJRMXQJLJVKTB-UHFFFAOYSA-N |