4-{[benzyl-N-(butan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[benzyl-N-(butan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
4-{[benzyl-N-(butan-2-yl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V017-3086 |
| Compound Name: | 4-{[benzyl-N-(butan-2-yl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C21 H28 N2 O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(CC)(=O)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6566 |
| logD: | 3.6566 |
| logSw: | -3.7738 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.029 |
| InChI Key: | PJDNFVSFSWDTKC-KRWDZBQOSA-N |