N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K847-0662 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | CC1CCN(CC1)C(CN1C=Nc2c(C1=O)c(C)c(C(Nc1ccc3c(c1)OCCO3)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4552 |
| logD: | 1.4383 |
| logSw: | -2.7098 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.548 |
| InChI Key: | QSPDVEGJWMEIMD-UHFFFAOYSA-N |