ethyl 2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4489-6036 |
| Compound Name: | ethyl 2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 591.1 |
| Molecular Formula: | C30 H23 Cl N2 O5 S2 |
| Smiles: | CCOC(C1C(c2ccc(cc2)SC)N2C(=NC=1c1ccccc1)SC(=C\c1cc3c(cc1[Cl])OCO3)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3196 |
| logD: | 7.3196 |
| logSw: | -6.3683 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.092 |
| InChI Key: | ZYTXKTRLVDDMCS-MHZLTWQESA-N |