3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-[3-chloro-4-(1H-pyrrol-1-yl)phenyl]propanamide
Chemical Structure Depiction of
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-[3-chloro-4-(1H-pyrrol-1-yl)phenyl]propanamide
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-[3-chloro-4-(1H-pyrrol-1-yl)phenyl]propanamide
Compound characteristics
| Compound ID: | C071-0295 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-[3-chloro-4-(1H-pyrrol-1-yl)phenyl]propanamide |
| Molecular Weight: | 578.95 |
| Molecular Formula: | C25 H18 Cl F3 N4 O5 S |
| Smiles: | C(CS(c1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)(=O)=O)C(Nc1ccc(c(c1)[Cl])n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3302 |
| logD: | 5.3299 |
| logSw: | -6.0393 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.802 |
| InChI Key: | HEQQUAGYBRZNID-UHFFFAOYSA-N |