4-{[N-(propan-2-yl)-4-(trifluoromethyl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-(propan-2-yl)-4-(trifluoromethyl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-{[N-(propan-2-yl)-4-(trifluoromethyl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-0148 |
| Compound Name: | 4-{[N-(propan-2-yl)-4-(trifluoromethyl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 495.49 |
| Molecular Formula: | C24 H21 F4 N O4 S |
| Smiles: | CC(C)N(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4701 |
| logD: | 5.4701 |
| logSw: | -5.4383 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.955 |
| InChI Key: | AVQNQDVOGLCDIU-UHFFFAOYSA-N |