N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[4-oxo-2-(pyrrolidin-1-yl)thieno[3,2-d]pyrimidin-3(4H)-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[4-oxo-2-(pyrrolidin-1-yl)thieno[3,2-d]pyrimidin-3(4H)-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[4-oxo-2-(pyrrolidin-1-yl)thieno[3,2-d]pyrimidin-3(4H)-yl]propanamide
Compound characteristics
| Compound ID: | M445-0093 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[4-oxo-2-(pyrrolidin-1-yl)thieno[3,2-d]pyrimidin-3(4H)-yl]propanamide |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H22 N4 O4 S |
| Smiles: | C1CCN(C1)C1=Nc2ccsc2C(N1CCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5459 |
| logD: | 2.5459 |
| logSw: | -2.9816 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.772 |
| InChI Key: | QKHDFKDQQMJEBM-UHFFFAOYSA-N |