ethyl 3-benzyl-2-(4-bromophenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate
Chemical Structure Depiction of
ethyl 3-benzyl-2-(4-bromophenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate
ethyl 3-benzyl-2-(4-bromophenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate
Compound characteristics
| Compound ID: | 5205-0012 |
| Compound Name: | ethyl 3-benzyl-2-(4-bromophenyl)-5-methyl-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate |
| Molecular Weight: | 485.4 |
| Molecular Formula: | C23 H21 Br N2 O3 S |
| Smiles: | CCOC(c1c2c(C(N(Cc3ccccc3)C(c3ccc(cc3)[Br])N2)=O)c(C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2561 |
| logD: | 5.256 |
| logSw: | -5.203 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.863 |
| InChI Key: | AWJDKEOCTBVTFP-NRFANRHFSA-N |