ethyl 2-({5-[(2-fluoro-5-nitrophenoxy)methyl]furan-2-yl}methylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({5-[(2-fluoro-5-nitrophenoxy)methyl]furan-2-yl}methylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-({5-[(2-fluoro-5-nitrophenoxy)methyl]furan-2-yl}methylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y500-9827 |
| Compound Name: | ethyl 2-({5-[(2-fluoro-5-nitrophenoxy)methyl]furan-2-yl}methylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 563.56 |
| Molecular Formula: | C28 H22 F N3 O7 S |
| Smiles: | CCOC(C1C(c2ccccc2)N2C(=NC=1C)SC(=C/c1ccc(COc3cc(ccc3F)[N+]([O-])=O)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7774 |
| logD: | 5.7774 |
| logSw: | -5.5124 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 93.455 |
| InChI Key: | BUDGQLDEOCKMOC-RUZDIDTESA-N |