N-[4-(4-chlorophenoxy)phenyl]-5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-[4-(4-chlorophenoxy)phenyl]-5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-[4-(4-chlorophenoxy)phenyl]-5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K835-0097 |
| Compound Name: | N-[4-(4-chlorophenoxy)phenyl]-5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 551.06 |
| Molecular Formula: | C28 H27 Cl N4 O4 S |
| Smiles: | CC1CCCN(C1)C(CN1C=Nc2c(C1=O)c(C)c(C(Nc1ccc(cc1)Oc1ccc(cc1)[Cl])=O)s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8324 |
| logD: | 4.8312 |
| logSw: | -5.1235 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.406 |
| InChI Key: | WBKGLETUBNRUCP-KRWDZBQOSA-N |