N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | F464-0170 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(9-fluoro-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)acetamide |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C20 H14 F N3 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C=Nc2c3c(cccc3sc2C1=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7736 |
| logD: | 2.7736 |
| logSw: | -3.3549 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.421 |
| InChI Key: | KUNRLMFLBSMUPO-UHFFFAOYSA-N |