N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-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-2-yl)methyl]-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-2-yl)methyl]-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: | K847-0621 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | CC1CCN(CC1)C(CN1C=Nc2c(C1=O)c(C)c(C(NCC1COc3ccccc3O1)=O)s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1433 |
| logD: | 2.1433 |
| logSw: | -2.6019 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.727 |
| InChI Key: | QQVWIONFAHICFA-KRWDZBQOSA-N |