5-{[(2-fluorophenyl)-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[(2-fluorophenyl)-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[(2-fluorophenyl)-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-2067 |
| Compound Name: | 5-{[(2-fluorophenyl)-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 540.53 |
| Molecular Formula: | C25 H24 F4 N2 O5 S |
| Smiles: | CC(C)N(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(Nc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3658 |
| logD: | 5.3658 |
| logSw: | -5.4867 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.795 |
| InChI Key: | DSIUHQJYKVAVRV-UHFFFAOYSA-N |