4-({1-[2-(2-fluoroanilino)-2-oxoethyl]-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-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]benzamide
4-({1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C241-2092 |
| Compound Name: | 4-({1-[2-(2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 532.55 |
| Molecular Formula: | C27 H21 F N4 O5 S |
| Smiles: | C(c1ccco1)NC(c1ccc(CN2C(c3c(ccs3)N(CC(Nc3ccccc3F)=O)C2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0463 |
| logD: | 4.0461 |
| logSw: | -4.2689 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.899 |
| InChI Key: | GHVJTJIKIXYLEX-UHFFFAOYSA-N |