ethyl 2-{[5-(4-bromophenyl)furan-2-yl]methylidene}-5-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-(4-bromophenyl)furan-2-yl]methylidene}-5-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[5-(4-bromophenyl)furan-2-yl]methylidene}-5-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y501-7592 |
| Compound Name: | ethyl 2-{[5-(4-bromophenyl)furan-2-yl]methylidene}-5-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 581.49 |
| Molecular Formula: | C27 H25 Br N4 O4 S |
| Smiles: | CCn1cc(C2C(=C(C)N=C3N2C(/C(=C\c2ccc(c4ccc(cc4)[Br])o2)S3)=O)C(=O)OCC)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3856 |
| logD: | 5.3856 |
| logSw: | -5.2785 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.172 |
| InChI Key: | BWPRURUJOSJEKM-DEOSSOPVSA-N |