2-{[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
2-{[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y502-6594 |
| Compound Name: | 2-{[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one |
| Molecular Weight: | 443.32 |
| Molecular Formula: | C20 H15 Br N2 O3 S |
| Smiles: | C1COc2cc(ccc2O1)C(CSc1nccc(c2ccc(cc2)[Br])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4318 |
| logD: | 4.4318 |
| logSw: | -4.6021 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.491 |
| InChI Key: | MKNKTZBAQWXCLE-UHFFFAOYSA-N |