3-{[N-(butan-2-yl)dodecanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)dodecanamido]methyl}phenyl ethanesulfonate
3-{[N-(butan-2-yl)dodecanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V005-4094 |
| Compound Name: | 3-{[N-(butan-2-yl)dodecanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 453.68 |
| Molecular Formula: | C25 H43 N O4 S |
| Smiles: | CCCCCCCCCCCC(N(Cc1cccc(c1)OS(CC)(=O)=O)C(C)CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2437 |
| logD: | 7.2437 |
| logSw: | -5.6421 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.631 |
| InChI Key: | OTURSRYIENGUFN-QFIPXVFZSA-N |