1-({[1-(2H-1,3-benzodioxol-5-yl)ethylidene]amino}oxy)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one
Chemical Structure Depiction of
1-({[1-(2H-1,3-benzodioxol-5-yl)ethylidene]amino}oxy)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one
1-({[1-(2H-1,3-benzodioxol-5-yl)ethylidene]amino}oxy)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one
Compound characteristics
| Compound ID: | C071-0467 |
| Compound Name: | 1-({[1-(2H-1,3-benzodioxol-5-yl)ethylidene]amino}oxy)-4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one |
| Molecular Weight: | 565.52 |
| Molecular Formula: | C25 H22 F3 N3 O7 S |
| Smiles: | C\C(c1ccc2c(c1)OCO2)=N/OC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccccc1OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1663 |
| logD: | 4.1663 |
| logSw: | -4.3831 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 102.584 |
| InChI Key: | PXRAPECJIGBTOJ-UHFFFAOYSA-N |