N-(2H-1,3-benzodioxol-5-yl)-4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
N-(2H-1,3-benzodioxol-5-yl)-4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
Compound characteristics
| Compound ID: | C071-0526 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide |
| Molecular Weight: | 553.51 |
| Molecular Formula: | C24 H22 F3 N3 O7 S |
| Smiles: | COc1ccc(cc1OC)c1cc(C(F)(F)F)nc(n1)S(CCCC(Nc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4129 |
| logD: | 3.4125 |
| logSw: | -3.9524 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.378 |
| InChI Key: | ZFZYKORIQVJAOG-UHFFFAOYSA-N |