ethyl 3-benzyl-5-methyl-2-(4-nitrophenyl)-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate
Chemical Structure Depiction of
ethyl 3-benzyl-5-methyl-2-(4-nitrophenyl)-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate
ethyl 3-benzyl-5-methyl-2-(4-nitrophenyl)-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate
Compound characteristics
| Compound ID: | 4748-0760 |
| Compound Name: | ethyl 3-benzyl-5-methyl-2-(4-nitrophenyl)-4-oxo-1,2,3,4-tetrahydrothieno[3,4-d]pyrimidine-7-carboxylate |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | CCOC(c1c2c(C(N(Cc3ccccc3)C(c3ccc(cc3)[N+]([O-])=O)N2)=O)c(C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3478 |
| logD: | 4.3473 |
| logSw: | -4.3777 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.244 |
| InChI Key: | CMZXTSLXNRZSGU-OAQYLSRUSA-N |