ethyl 5-(4-tert-butylphenyl)-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(4-tert-butylphenyl)-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(4-tert-butylphenyl)-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 2556-1180 |
| Compound Name: | ethyl 5-(4-tert-butylphenyl)-7-methyl-2-[(3-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 505.59 |
| Molecular Formula: | C27 H27 N3 O5 S |
| Smiles: | [H]C1(C(=C(C)N=C2N1C(/C(=C\c1cccc(c1)[N+]([O-])=O)S2)=O)C(=O)OCC)c1ccc(cc1)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.085 |
| logD: | 6.085 |
| logSw: | -5.5236 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.129 |
| InChI Key: | ZHZVLHPFQJREKK-HSZRJFAPSA-N |