3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(2,4-dimethoxyphenyl)propanamide
Chemical Structure Depiction of
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(2,4-dimethoxyphenyl)propanamide
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(2,4-dimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | C071-0303 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(2,4-dimethoxyphenyl)propanamide |
| Molecular Weight: | 539.49 |
| Molecular Formula: | C23 H20 F3 N3 O7 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CCS(c1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6454 |
| logD: | 3.6453 |
| logSw: | -4.1146 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.594 |
| InChI Key: | LVRMQXNGEYMZQL-UHFFFAOYSA-N |