4-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)phenyl methanesulfonate
Chemical Structure Depiction of
4-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)phenyl methanesulfonate
4-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | V003-1885 |
| Compound Name: | 4-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)phenyl methanesulfonate |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C22 H31 N O5 S |
| Smiles: | CC(CC(N(Cc1ccc(cc1)OS(C)(=O)=O)Cc1ccco1)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3177 |
| logD: | 4.3177 |
| logSw: | -4.1843 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.82 |
| InChI Key: | PRNNFVYXXLUOMZ-QGZVFWFLSA-N |