4-({1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-({1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]benzamide
4-({1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C241-2088 |
| Compound Name: | 4-({1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C27 H20 N4 O4 S |
| Smiles: | C(c1ccco1)NC(c1ccc(CN2C(c3c(ccs3)N(Cc3ccccc3C#N)C2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5255 |
| logD: | 4.5255 |
| logSw: | -4.4734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.504 |
| InChI Key: | JKUAVMMEHFRVSL-UHFFFAOYSA-N |