propan-2-yl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
propan-2-yl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4489-5520 |
| Compound Name: | propan-2-yl 2-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 496.97 |
| Molecular Formula: | C25 H21 Cl N2 O5 S |
| Smiles: | CC(C)OC(C1C(c2ccc(cc2)[Cl])N2C(=NC=1C)SC(=C/c1ccc3c(c1)OCO3)\C2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4191 |
| logD: | 5.4191 |
| logSw: | -6.1412 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.542 |
| InChI Key: | QMDDZWVHXOJABG-QFIPXVFZSA-N |