methyl 3-{[7-(4-bromophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-{[7-(4-bromophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}-4-methoxybenzoate
methyl 3-{[7-(4-bromophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}-4-methoxybenzoate
Compound characteristics
| Compound ID: | L115-0660 |
| Compound Name: | methyl 3-{[7-(4-bromophenyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}-4-methoxybenzoate |
| Molecular Weight: | 485.35 |
| Molecular Formula: | C22 H17 Br N2 O4 S |
| Smiles: | COC(c1ccc(c(CN2C=Nc3c(csc3C2=O)c2ccc(cc2)[Br])c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1866 |
| logD: | 5.1866 |
| logSw: | -5.1927 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.638 |
| InChI Key: | VRPFWXMNODXLJA-UHFFFAOYSA-N |