4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-1-{[(propan-2-ylidene)amino]oxy}butan-1-one
Chemical Structure Depiction of
4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-1-{[(propan-2-ylidene)amino]oxy}butan-1-one
4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-1-{[(propan-2-ylidene)amino]oxy}butan-1-one
Compound characteristics
| Compound ID: | C071-0581 |
| Compound Name: | 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-1-{[(propan-2-ylidene)amino]oxy}butan-1-one |
| Molecular Weight: | 489.47 |
| Molecular Formula: | C20 H22 F3 N3 O6 S |
| Smiles: | CC(C)=NOC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccc(c(c1)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8659 |
| logD: | 2.8659 |
| logSw: | -3.3359 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.14 |
| InChI Key: | BPTLDRITIXTFOP-UHFFFAOYSA-N |