N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | M444-0240 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(diethylamino)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | CCN(CC)C1=Nc2ccsc2C(N1CC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4879 |
| logD: | 2.4879 |
| logSw: | -2.9673 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.712 |
| InChI Key: | YROJVDXKTHRPJN-UHFFFAOYSA-N |