3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2108 |
| Compound Name: | 3-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 437.98 |
| Molecular Formula: | C22 H28 Cl N O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1163 |
| logD: | 5.1163 |
| logSw: | -5.6019 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.811 |
| InChI Key: | HRRZYQKRCRPVOZ-KRWDZBQOSA-N |