4-{[(butan-2-yl)(4-methylbenzene-1-sulfonyl)amino]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[(butan-2-yl)(4-methylbenzene-1-sulfonyl)amino]methyl}phenyl ethanesulfonate
4-{[(butan-2-yl)(4-methylbenzene-1-sulfonyl)amino]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V013-0014 |
| Compound Name: | 4-{[(butan-2-yl)(4-methylbenzene-1-sulfonyl)amino]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 425.56 |
| Molecular Formula: | C20 H27 N O5 S2 |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(CC)(=O)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3193 |
| logD: | 4.3193 |
| logSw: | -4.1605 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.089 |
| InChI Key: | WMVMYGMRJIMBDY-KRWDZBQOSA-N |