4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]butanamide
Chemical Structure Depiction of
4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]butanamide
4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]butanamide
Compound characteristics
| Compound ID: | C071-0538 |
| Compound Name: | 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]butanamide |
| Molecular Weight: | 652.53 |
| Molecular Formula: | C25 H22 F6 N4 O8 S |
| Smiles: | COc1ccc(cc1OC)c1cc(C(F)(F)F)nc(n1)S(CCCC(Nc1cc(cc(c1)OCC(F)(F)F)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.573 |
| logD: | 4.4951 |
| logSw: | -4.5312 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 126.143 |
| InChI Key: | YSDPYABSAWIYPQ-UHFFFAOYSA-N |