4-{[N-(butan-2-yl)-2-methylbenzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)-2-methylbenzamido]methyl}phenyl ethanesulfonate
4-{[N-(butan-2-yl)-2-methylbenzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V028-9785 |
| Compound Name: | 4-{[N-(butan-2-yl)-2-methylbenzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 389.51 |
| Molecular Formula: | C21 H27 N O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(CC)(=O)=O)C(c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0346 |
| logD: | 4.0346 |
| logSw: | -4.1127 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.886 |
| InChI Key: | PQWBREOHUTYVPL-KRWDZBQOSA-N |