3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-1-({[1-(4-fluorophenyl)ethylidene]amino}oxy)propan-1-one
Chemical Structure Depiction of
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-1-({[1-(4-fluorophenyl)ethylidene]amino}oxy)propan-1-one
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-1-({[1-(4-fluorophenyl)ethylidene]amino}oxy)propan-1-one
Compound characteristics
| Compound ID: | C071-0348 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-1-({[1-(4-fluorophenyl)ethylidene]amino}oxy)propan-1-one |
| Molecular Weight: | 539.46 |
| Molecular Formula: | C23 H17 F4 N3 O6 S |
| Smiles: | C\C(c1ccc(cc1)F)=N/OC(CCS(c1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3465 |
| logD: | 4.3465 |
| logSw: | -4.4063 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.954 |
| InChI Key: | RLJQKDIBBZUFSZ-UHFFFAOYSA-N |