6-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]hexanamide
Chemical Structure Depiction of
6-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]hexanamide
6-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | C241-2049 |
| Compound Name: | 6-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(4-methylphenyl)methyl]hexanamide |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C28 H28 N4 O3 S |
| Smiles: | Cc1ccc(CNC(CCCCCN2C(c3c(ccs3)N(Cc3ccccc3C#N)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6559 |
| logD: | 4.6559 |
| logSw: | -4.2513 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.791 |
| InChI Key: | ZEBFNSZSJJESPZ-UHFFFAOYSA-N |