ethyl 5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4489-6078 |
| Compound Name: | ethyl 5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 646.71 |
| Molecular Formula: | C34 H25 F3 N2 O4 S2 |
| Smiles: | CCOC(C1C(c2ccc(cc2)SC)N2C(=NC=1c1ccccc1)SC(=C/c1ccc(c3cccc(c3)C(F)(F)F)o1)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.8706 |
| logD: | 8.8706 |
| logSw: | -5.8269 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 53.547 |
| InChI Key: | CLPWMEULVARYAJ-SSEXGKCCSA-N |