5-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
5-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-0724 |
| Compound Name: | 5-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 449.54 |
| Molecular Formula: | C23 H28 F N O5 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1ccc(cc1)F)(=O)=O)OC)C(C1CCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9281 |
| logD: | 3.9281 |
| logSw: | -3.9216 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.779 |
| InChI Key: | JDNIQRGBQBWXMI-INIZCTEOSA-N |