3-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
3-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1247 |
| Compound Name: | 3-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C25 H25 F N2 O5 S |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8606 |
| logD: | 3.8605 |
| logSw: | -4.0655 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.217 |
| InChI Key: | TZPCGDGALHMIBB-UHFFFAOYSA-N |