ethyl 5-(4-bromophenyl)-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(4-bromophenyl)-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(4-bromophenyl)-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y502-4662 |
| Compound Name: | ethyl 5-(4-bromophenyl)-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 487.37 |
| Molecular Formula: | C21 H19 Br N4 O3 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Br])N2C(=NC=1C)SC(=C\c1cnn(C)c1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4663 |
| logD: | 3.4663 |
| logSw: | -3.4452 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.556 |
| InChI Key: | IBHRYDXLWBRIAH-SFHVURJKSA-N |