4-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}phenyl methanesulfonate
4-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V026-8330 |
| Compound Name: | 4-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 356.48 |
| Molecular Formula: | C17 H28 N2 O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(C)(=O)=O)C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2642 |
| logD: | 3.2641 |
| logSw: | -3.4714 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.165 |
| InChI Key: | WUJBWMGZJWMSHW-ZDUSSCGKSA-N |