5-({N-[(furan-2-yl)methyl]-2-methylpropanamido}methyl)-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-({N-[(furan-2-yl)methyl]-2-methylpropanamido}methyl)-2-methoxyphenyl ethanesulfonate
5-({N-[(furan-2-yl)methyl]-2-methylpropanamido}methyl)-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-5927 |
| Compound Name: | 5-({N-[(furan-2-yl)methyl]-2-methylpropanamido}methyl)-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 395.47 |
| Molecular Formula: | C19 H25 N O6 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(Cc2ccco2)C(C(C)C)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6408 |
| logD: | 2.6408 |
| logSw: | -2.9801 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.024 |
| InChI Key: | BDKUAAXXELXNCG-UHFFFAOYSA-N |