N-benzyl-2-(4-{1-[(5-formyl-2-methoxyphenyl)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-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)acetamide
N-benzyl-2-(4-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)acetamide
Compound characteristics
| Compound ID: | C241-1927 |
| Compound Name: | N-benzyl-2-(4-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)acetamide |
| Molecular Weight: | 539.61 |
| Molecular Formula: | C30 H25 N3 O5 S |
| Smiles: | COc1ccc(C=O)cc1CN1C(N(C(c2c1ccs2)=O)c1ccc(CC(NCc2ccccc2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7186 |
| logD: | 3.7186 |
| logSw: | -4.0173 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.663 |
| InChI Key: | ZMYXSCMPPKWDPT-UHFFFAOYSA-N |