3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(5-chloro-2-methoxyphenyl)propanamide
Chemical Structure Depiction of
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(5-chloro-2-methoxyphenyl)propanamide
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(5-chloro-2-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | C071-0289 |
| Compound Name: | 3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(5-chloro-2-methoxyphenyl)propanamide |
| Molecular Weight: | 543.9 |
| Molecular Formula: | C22 H17 Cl F3 N3 O6 S |
| Smiles: | COc1ccc(cc1NC(CCS(c1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1531 |
| logD: | 4.1487 |
| logSw: | -4.5476 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.05 |
| InChI Key: | XCUCFGKFMIGUCR-UHFFFAOYSA-N |