5-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-8737 |
| Compound Name: | 5-{[N-(butan-2-yl)-2-methylpropanamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 488.43 |
| Molecular Formula: | C22 H27 Cl2 N O5 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)C(C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3333 |
| logD: | 5.3333 |
| logSw: | -5.9341 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.528 |
| InChI Key: | MMAGCCJTOKKRNM-HNNXBMFYSA-N |