5-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4313 |
| Compound Name: | 5-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 517.47 |
| Molecular Formula: | C23 H30 Cl2 N2 O5 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.737 |
| logD: | 5.7368 |
| logSw: | -5.9567 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.495 |
| InChI Key: | FZKTYAQOWKIJKJ-HNNXBMFYSA-N |