N-benzyl-3-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-benzyl-3-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
N-benzyl-3-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-1291 |
| Compound Name: | N-benzyl-3-{1-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 559.41 |
| Molecular Formula: | C24 H20 Br F N4 O4 S |
| Smiles: | C(CN1C(c2c(ccs2)N(CC(Nc2ccc(cc2F)[Br])=O)C1=O)=O)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8967 |
| logD: | 3.8888 |
| logSw: | -4.0418 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.187 |
| InChI Key: | MYYNVFQLIMNSIA-UHFFFAOYSA-N |