4-({butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
4-({butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V028-5173 |
| Compound Name: | 4-({butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C19 H26 N2 O5 S |
| Smiles: | CCCCNC(N(Cc1ccc(cc1)OS(CC)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5088 |
| logD: | 3.5088 |
| logSw: | -3.6215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.291 |
| InChI Key: | BEOSSSYXUZDYED-UHFFFAOYSA-N |