4-{[N-(butan-2-yl)heptanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)heptanamido]methyl}phenyl ethanesulfonate
4-{[N-(butan-2-yl)heptanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V001-3270 |
| Compound Name: | 4-{[N-(butan-2-yl)heptanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 383.55 |
| Molecular Formula: | C20 H33 N O4 S |
| Smiles: | CCCCCCC(N(Cc1ccc(cc1)OS(CC)(=O)=O)C(C)CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7221 |
| logD: | 4.7221 |
| logSw: | -4.4873 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.631 |
| InChI Key: | CKVKLWFKUTZIDL-KRWDZBQOSA-N |