4-{[(2H-1,3-benzodioxole-5-carbonyl)(butan-2-yl)amino]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[(2H-1,3-benzodioxole-5-carbonyl)(butan-2-yl)amino]methyl}phenyl ethanesulfonate
4-{[(2H-1,3-benzodioxole-5-carbonyl)(butan-2-yl)amino]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V006-7893 |
| Compound Name: | 4-{[(2H-1,3-benzodioxole-5-carbonyl)(butan-2-yl)amino]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C21 H25 N O6 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(CC)(=O)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5688 |
| logD: | 3.5688 |
| logSw: | -3.7626 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.002 |
| InChI Key: | RWDNUBQRWLTEPH-HNNXBMFYSA-N |