3-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
3-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V027-5115 |
| Compound Name: | 3-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 356.48 |
| Molecular Formula: | C17 H28 N2 O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(CC)(=O)=O)C(NC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.189 |
| logD: | 3.189 |
| logSw: | -3.6118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.275 |
| InChI Key: | FBEKEBJGBCXAJS-AWEZNQCLSA-N |