4-{[(butan-2-yl)(chloroacetyl)amino]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[(butan-2-yl)(chloroacetyl)amino]methyl}phenyl ethanesulfonate
4-{[(butan-2-yl)(chloroacetyl)amino]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V006-8162 |
| Compound Name: | 4-{[(butan-2-yl)(chloroacetyl)amino]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 347.86 |
| Molecular Formula: | C15 H22 Cl N O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(CC)(=O)=O)C(C[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3895 |
| logD: | 2.3895 |
| logSw: | -2.6412 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.631 |
| InChI Key: | KRBVOBZNRFJSDN-LBPRGKRZSA-N |