3-({2-ethyl-N-[(furan-2-yl)methyl]hexanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
3-({2-ethyl-N-[(furan-2-yl)methyl]hexanamido}methyl)phenyl ethanesulfonate
3-({2-ethyl-N-[(furan-2-yl)methyl]hexanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V003-2297 |
| Compound Name: | 3-({2-ethyl-N-[(furan-2-yl)methyl]hexanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C22 H31 N O5 S |
| Smiles: | CCCCC(CC)C(N(Cc1cccc(c1)OS(CC)(=O)=O)Cc1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7171 |
| logD: | 4.7171 |
| logSw: | -4.6416 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.307 |
| InChI Key: | WBIVIDYTPLZJFR-IBGZPJMESA-N |