3-{[(butan-2-yl)(furan-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(butan-2-yl)(furan-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[(butan-2-yl)(furan-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2008 |
| Compound Name: | 3-{[(butan-2-yl)(furan-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 431.48 |
| Molecular Formula: | C22 H22 F N O5 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3545 |
| logD: | 4.3545 |
| logSw: | -4.3276 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.118 |
| InChI Key: | UCFKEHKTHVHPFF-INIZCTEOSA-N |