2-(4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)-N-[(4-methylphenyl)methyl]acetamide
2-(4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C241-2122 |
| Compound Name: | 2-(4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}phenyl)-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 520.61 |
| Molecular Formula: | C30 H24 N4 O3 S |
| Smiles: | Cc1ccc(CNC(Cc2ccc(cc2)N2C(c3c(ccs3)N(Cc3ccccc3C#N)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3813 |
| logD: | 4.3812 |
| logSw: | -4.3755 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.93 |
| InChI Key: | BBRZWZVQPKOGRZ-UHFFFAOYSA-N |