3-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-8089 |
| Compound Name: | 3-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 450 |
| Molecular Formula: | C23 H28 Cl N O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(C1CCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7803 |
| logD: | 4.7803 |
| logSw: | -4.8622 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.062 |
| InChI Key: | FGKGBIKUCWVZMJ-KRWDZBQOSA-N |