2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3,5-diphenylthieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3,5-diphenylthieno[2,3-d]pyrimidin-4(3H)-one
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3,5-diphenylthieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4112-4041 |
| Compound Name: | 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-3,5-diphenylthieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C27 H18 N2 O4 S2 |
| Smiles: | C1Oc2ccc(cc2O1)C(CSC1=Nc2c(C(N1c1ccccc1)=O)c(cs2)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6076 |
| logD: | 5.6075 |
| logSw: | -5.9581 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.153 |
| InChI Key: | DZAKJVFTDQRJOM-UHFFFAOYSA-N |