ethyl 5-(4-bromophenyl)-7-methyl-3-oxo-2-[(1H-pyrrol-2-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-(4-bromophenyl)-7-methyl-3-oxo-2-[(1H-pyrrol-2-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-(4-bromophenyl)-7-methyl-3-oxo-2-[(1H-pyrrol-2-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y502-4639 |
| Compound Name: | ethyl 5-(4-bromophenyl)-7-methyl-3-oxo-2-[(1H-pyrrol-2-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 472.36 |
| Molecular Formula: | C21 H18 Br N3 O3 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Br])N2C(=NC=1C)SC(=C\c1ccc[nH]1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6175 |
| logD: | 4.6175 |
| logSw: | -4.3335 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.309 |
| InChI Key: | GXGDNIOOSFGNKH-SFHVURJKSA-N |