4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-(4-methoxyphenyl)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-methoxyphenyl)butanamide
4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-(4-methoxyphenyl)butanamide
Compound characteristics
| Compound ID: | C200-1170 |
| Compound Name: | 4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-(4-methoxyphenyl)butanamide |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C25 H22 N4 O4 S |
| Smiles: | COc1ccc(cc1)NC(CCCN1C(c2c(ccs2)N(Cc2ccccc2C#N)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5045 |
| logD: | 3.5045 |
| logSw: | -3.8197 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.013 |
| InChI Key: | QZXAMDVOSIWUOT-UHFFFAOYSA-N |