2-{1-[2-(4-bromoanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{1-[2-(4-bromoanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(furan-2-yl)methyl]acetamide
2-{1-[2-(4-bromoanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C241-1778 |
| Compound Name: | 2-{1-[2-(4-bromoanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 517.36 |
| Molecular Formula: | C21 H17 Br N4 O5 S |
| Smiles: | C(c1ccco1)NC(CN1C(c2c(ccs2)N(CC(Nc2ccc(cc2)[Br])=O)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5867 |
| logD: | 3.5866 |
| logSw: | -3.7731 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.655 |
| InChI Key: | BLAJWMDOVWPUPX-UHFFFAOYSA-N |