5-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}-2-methoxyphenyl ethanesulfonate
5-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-9847 |
| Compound Name: | 5-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 395.47 |
| Molecular Formula: | C19 H25 N O6 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(CC(C)C)C(c2ccco2)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.757 |
| logD: | 2.757 |
| logSw: | -3.23 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.854 |
| InChI Key: | XIINOJSQYXHRQU-UHFFFAOYSA-N |