4-{[(benzenesulfonyl)(butan-2-yl)amino]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[(benzenesulfonyl)(butan-2-yl)amino]methyl}phenyl ethanesulfonate
4-{[(benzenesulfonyl)(butan-2-yl)amino]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V012-1820 |
| Compound Name: | 4-{[(benzenesulfonyl)(butan-2-yl)amino]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C19 H25 N O5 S2 |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(CC)(=O)=O)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7108 |
| logD: | 3.7108 |
| logSw: | -3.9342 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.089 |
| InChI Key: | YZJIMGXXONBZSZ-INIZCTEOSA-N |