4-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}phenyl propane-2-sulfonate
4-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V002-5534 |
| Compound Name: | 4-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 379.47 |
| Molecular Formula: | C19 H25 N O5 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(C(C)C)(=O)=O)C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4026 |
| logD: | 3.4026 |
| logSw: | -3.6214 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.061 |
| InChI Key: | BYFSDRNFOGTFAU-UHFFFAOYSA-N |