2-({4-[3-(difluoromethoxy)phenyl]pyrimidin-2-yl}sulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
Chemical Structure Depiction of
2-({4-[3-(difluoromethoxy)phenyl]pyrimidin-2-yl}sulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
2-({4-[3-(difluoromethoxy)phenyl]pyrimidin-2-yl}sulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y502-9043 |
| Compound Name: | 2-({4-[3-(difluoromethoxy)phenyl]pyrimidin-2-yl}sulfanyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one |
| Molecular Weight: | 430.43 |
| Molecular Formula: | C21 H16 F2 N2 O4 S |
| Smiles: | C1COc2cc(ccc2O1)C(CSc1nccc(c2cccc(c2)OC(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.588 |
| logD: | 3.588 |
| logSw: | -3.8518 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.096 |
| InChI Key: | BSJQHCFVKHQXAR-UHFFFAOYSA-N |