N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0765 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 371.34 |
| Molecular Formula: | C15 H12 F3 N3 O3 S |
| Smiles: | CSc1ncc(C(Nc2ccc3c(c2)OCCO3)=O)c(C(F)(F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1465 |
| logD: | 0.9376 |
| logSw: | -3.0642 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.738 |
| InChI Key: | CPLDEIJYZQCJQW-UHFFFAOYSA-N |