4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | C241-1363 |
| Compound Name: | 4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C26 H24 N4 O3 S |
| Smiles: | Cc1ccc(CNC(CCCN2C(c3c(ccs3)N(Cc3ccccc3C#N)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6458 |
| logD: | 3.6458 |
| logSw: | -3.8369 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.791 |
| InChI Key: | WKWITWKJNIVRRO-UHFFFAOYSA-N |