5-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}-2-methoxyphenyl propane-2-sulfonate
5-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V001-5759 |
| Compound Name: | 5-{[N-(butan-2-yl)-2-chlorobenzamido]methyl}-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 453.98 |
| Molecular Formula: | C22 H28 Cl N O5 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(C(C)C)(=O)=O)OC)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3463 |
| logD: | 4.3463 |
| logSw: | -4.5268 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.528 |
| InChI Key: | PPLKFOKYGKGERZ-INIZCTEOSA-N |