ethyl 2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)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]-7-methyl-3-oxo-5-[4-(propan-2-yl)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]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4489-4311 |
| Compound Name: | ethyl 2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-[4-(propan-2-yl)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 525.02 |
| Molecular Formula: | C27 H25 Cl N2 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)C)N2C(=NC=1C)SC(=C\c1cc3c(cc1[Cl])OCO3)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2909 |
| logD: | 6.2909 |
| logSw: | -6.3229 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.863 |
| InChI Key: | ICAJWFOGNIBEPT-DEOSSOPVSA-N |