N-benzyl-2-(4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)acetamide
Chemical Structure Depiction of
N-benzyl-2-(4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)acetamide
N-benzyl-2-(4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)acetamide
Compound characteristics
| Compound ID: | C241-1896 |
| Compound Name: | N-benzyl-2-(4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)acetamide |
| Molecular Weight: | 534.01 |
| Molecular Formula: | C28 H21 Cl F N3 O3 S |
| Smiles: | C(C(NCc1ccccc1)=O)c1ccc(cc1)N1C(c2c(ccs2)N(Cc2ccc(cc2[Cl])F)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0174 |
| logD: | 5.0174 |
| logSw: | -5.2757 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.874 |
| InChI Key: | XEINNIGYUXAEPG-UHFFFAOYSA-N |