N-(2H-1,3-benzodioxol-5-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | 6466-0519 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamide |
| Molecular Weight: | 447.43 |
| Molecular Formula: | C21 H16 F3 N3 O3 S |
| Smiles: | CC(C(Nc1ccc2c(c1)OCO2)=O)Sc1nc(cc(C(F)(F)F)n1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5781 |
| logD: | 5.578 |
| logSw: | -5.4181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.467 |
| InChI Key: | VMGNMCSPIGYNRD-LBPRGKRZSA-N |