benzyl {3-[4-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)phenyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetate
Chemical Structure Depiction of
benzyl {3-[4-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)phenyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetate
benzyl {3-[4-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)phenyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetate
Compound characteristics
| Compound ID: | C241-1893 |
| Compound Name: | benzyl {3-[4-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)phenyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetate |
| Molecular Weight: | 529.57 |
| Molecular Formula: | C28 H23 N3 O6 S |
| Smiles: | C(C(NCc1ccco1)=O)c1ccc(cc1)N1C(c2c(ccs2)N(CC(=O)OCc2ccccc2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7444 |
| logD: | 3.7444 |
| logSw: | -4.1506 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.157 |
| InChI Key: | IMIUGPBODBATRU-UHFFFAOYSA-N |