4-bromophenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
4-bromophenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
4-bromophenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | K833-0202 |
Compound Name: | 4-bromophenyl 3-[(3-fluorophenyl)methyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
Molecular Weight: | 473.32 |
Molecular Formula: | C21 H14 Br F N2 O3 S |
Smiles: | Cc1c2C(N(Cc3cccc(c3)F)C=Nc2sc1C(=O)Oc1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 4.7133 |
logD: | 4.7133 |
logSw: | -4.7355 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 46.619 |
InChI Key: | JEIBVTNJXGPETP-UHFFFAOYSA-N |