2-{[acetyl(propan-2-yl)amino]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[acetyl(propan-2-yl)amino]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
2-{[acetyl(propan-2-yl)amino]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-5033 |
| Compound Name: | 2-{[acetyl(propan-2-yl)amino]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 399.87 |
| Molecular Formula: | C18 H19 Cl F N O4 S |
| Smiles: | CC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8799 |
| logD: | 3.8799 |
| logSw: | -4.3056 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.781 |
| InChI Key: | PSMXFHBLOLGVEM-UHFFFAOYSA-N |