3-{[(2H-1,3-benzodioxole-5-carbonyl)(cyclopropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxole-5-carbonyl)(cyclopropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[(2H-1,3-benzodioxole-5-carbonyl)(cyclopropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-7859 |
| Compound Name: | 3-{[(2H-1,3-benzodioxole-5-carbonyl)(cyclopropyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 469.49 |
| Molecular Formula: | C24 H20 F N O6 S |
| Smiles: | C1CC1N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3812 |
| logD: | 4.3812 |
| logSw: | -4.5094 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.631 |
| InChI Key: | IPAJOHQOPZALGC-UHFFFAOYSA-N |