ethyl 2-[(6-chloro-2H-1,3-benzodioxol-5-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-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-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-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4489-4589 |
| Compound Name: | ethyl 2-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 482.94 |
| Molecular Formula: | C24 H19 Cl N2 O5 S |
| Smiles: | CCOC(C1C(c2ccccc2)N2C(=NC=1C)SC(=C\c1cc3c(cc1[Cl])OCO3)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.957 |
| logD: | 4.957 |
| logSw: | -5.1387 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.863 |
| InChI Key: | SKCKCAGTTOBMDE-NRFANRHFSA-N |