4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-1-({[1-(4-fluorophenyl)ethylidene]amino}oxy)butan-1-one
Chemical Structure Depiction of
4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-1-({[1-(4-fluorophenyl)ethylidene]amino}oxy)butan-1-one
4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-1-({[1-(4-fluorophenyl)ethylidene]amino}oxy)butan-1-one
Compound characteristics
| Compound ID: | C071-0582 |
| Compound Name: | 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-1-({[1-(4-fluorophenyl)ethylidene]amino}oxy)butan-1-one |
| Molecular Weight: | 569.53 |
| Molecular Formula: | C25 H23 F4 N3 O6 S |
| Smiles: | C\C(c1ccc(cc1)F)=N/OC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccc(c(c1)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2284 |
| logD: | 4.2284 |
| logSw: | -4.3874 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.099 |
| InChI Key: | HCRAPRXDQDSZFC-UHFFFAOYSA-N |