1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(thiophen-2-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(thiophen-2-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(thiophen-2-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | Y502-6436 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(thiophen-2-yl)pyrimidin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C18 H14 N2 O3 S2 |
| Smiles: | C1COc2cc(ccc2O1)C(CSc1nccc(c2cccs2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2491 |
| logD: | 3.2491 |
| logSw: | -3.4344 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.509 |
| InChI Key: | MZRUKYPBLUTZDF-UHFFFAOYSA-N |