3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(2-hydroxy-5-methylphenyl)propanamide
Chemical Structure Depiction of
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(2-hydroxy-5-methylphenyl)propanamide
3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(2-hydroxy-5-methylphenyl)propanamide
Compound characteristics
Compound ID: | C071-0282 |
Compound Name: | 3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]-N-(2-hydroxy-5-methylphenyl)propanamide |
Molecular Weight: | 509.46 |
Molecular Formula: | C22 H18 F3 N3 O6 S |
Smiles: | Cc1ccc(c(c1)NC(CCS(c1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)(=O)=O)=O)O |
Stereo: | ACHIRAL |
logP: | 3.5409 |
logD: | 3.5406 |
logSw: | -3.6231 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 102.968 |
InChI Key: | AKCBXZGFWSUMTQ-UHFFFAOYSA-N |