methyl (2E)-2-[(2-chloro-6-fluorophenyl)methylidene]-5-{4-[(furan-2-carbonyl)oxy]phenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl (2E)-2-[(2-chloro-6-fluorophenyl)methylidene]-5-{4-[(furan-2-carbonyl)oxy]phenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl (2E)-2-[(2-chloro-6-fluorophenyl)methylidene]-5-{4-[(furan-2-carbonyl)oxy]phenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | IB01-5234 |
| Compound Name: | methyl (2E)-2-[(2-chloro-6-fluorophenyl)methylidene]-5-{4-[(furan-2-carbonyl)oxy]phenyl}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 552.96 |
| Molecular Formula: | C27 H18 Cl F N2 O6 S |
| Smiles: | CC1=C(C(c2ccc(cc2)OC(c2ccco2)=O)N2C(=N1)SC(=C\c1c(cccc1[Cl])F)\C2=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7 |
| logD: | 4.7 |
| logSw: | -5.97 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 157.28 |
| InChI Key: | GOKZKPJOUCFHGC-QHCPKHFHSA-N |