4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(furan-2-yl)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-[(furan-2-yl)methyl]butanamide
4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(furan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | C241-1444 |
| Compound Name: | 4-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(furan-2-yl)methyl]butanamide |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Smiles: | C(CC(NCc1ccco1)=O)CN1C(c2c(ccs2)N(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.973 |
| logD: | 2.973 |
| logSw: | -3.5561 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.54 |
| InChI Key: | XDOHEDZCUIJAEG-UHFFFAOYSA-N |