1-({[1-(2H-1,3-benzodioxol-5-yl)ethylidene]amino}oxy)-4-[4-(thiophen-2-yl)-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-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one
1-({[1-(2H-1,3-benzodioxol-5-yl)ethylidene]amino}oxy)-4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one
Compound characteristics
| Compound ID: | C071-0701 |
| Compound Name: | 1-({[1-(2H-1,3-benzodioxol-5-yl)ethylidene]amino}oxy)-4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butan-1-one |
| Molecular Weight: | 541.52 |
| Molecular Formula: | C22 H18 F3 N3 O6 S2 |
| Smiles: | C\C(c1ccc2c(c1)OCO2)=N/OC(CCCS(c1nc(cc(C(F)(F)F)n1)c1cccs1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2751 |
| logD: | 4.2751 |
| logSw: | -4.3923 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.972 |
| InChI Key: | MQWSCMYCTNYJKJ-UHFFFAOYSA-N |