N-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(3-chloro-4-fluorophenyl)-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: | K847-0642 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 476.96 |
| Molecular Formula: | C22 H22 Cl F N4 O3 S |
| Smiles: | CC1CCN(CC1)C(CN1C=Nc2c(C1=O)c(C)c(C(Nc1ccc(c(c1)[Cl])F)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2128 |
| logD: | 2.1953 |
| logSw: | -3.9294 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.725 |
| InChI Key: | XLVOZGUAHUAEAC-UHFFFAOYSA-N |