N-benzyl-2-(4-{1-[(2-cyanophenyl)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-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)acetamide
N-benzyl-2-(4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)acetamide
Compound characteristics
| Compound ID: | C241-1921 |
| Compound Name: | N-benzyl-2-(4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)acetamide |
| Molecular Weight: | 506.58 |
| Molecular Formula: | C29 H22 N4 O3 S |
| Smiles: | C(C(NCc1ccccc1)=O)c1ccc(cc1)N1C(c2c(ccs2)N(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9579 |
| logD: | 3.9579 |
| logSw: | -4.2329 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.93 |
| InChI Key: | IXHLVRIQUQIOMI-UHFFFAOYSA-N |