N-(2H-1,3-benzodioxol-5-yl)-5-methyl-4-oxo-3-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-methyl-4-oxo-3-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-methyl-4-oxo-3-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K847-0367 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-methyl-4-oxo-3-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | Cc1c2C(N(CC(N3CCCCC3)=O)C=Nc2sc1C(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9854 |
| logD: | 1.9684 |
| logSw: | -2.9417 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.84 |
| InChI Key: | MQYLOPFVEYXEMC-UHFFFAOYSA-N |