3-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
3-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
3-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V027-2064 |
| Compound Name: | 3-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C19 H26 N2 O5 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(NC(C)(C)C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.294 |
| logD: | 3.294 |
| logSw: | -3.6131 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.274 |
| InChI Key: | XGIRRLWCQKJFNA-UHFFFAOYSA-N |