4-{[N-(butan-2-yl)-2-ethylhexanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)-2-ethylhexanamido]methyl}phenyl ethanesulfonate
4-{[N-(butan-2-yl)-2-ethylhexanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V006-7869 |
| Compound Name: | 4-{[N-(butan-2-yl)-2-ethylhexanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 397.58 |
| Molecular Formula: | C21 H35 N O4 S |
| Smiles: | CCCCC(CC)C(N(Cc1ccc(cc1)OS(CC)(=O)=O)C(C)CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0122 |
| logD: | 5.0122 |
| logSw: | -4.5749 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.158 |
| InChI Key: | IDJBKEIMJFGGGC-UHFFFAOYSA-N |