4-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl propane-2-sulfonate
4-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V027-9030 |
| Compound Name: | 4-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 356.48 |
| Molecular Formula: | C17 H28 N2 O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(C(C)C)(=O)=O)C(NCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1226 |
| logD: | 3.1226 |
| logSw: | -3.4081 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.851 |
| InChI Key: | KEZBNHBRYYSRPP-AWEZNQCLSA-N |