methyl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y501-2012 |
| Compound Name: | methyl 5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | CC1=C(C(c2ccc(cc2)OC)N2C(=N1)SC(=C\c1c(C)nn(C)c1C)\C2=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4941 |
| logD: | 2.4941 |
| logSw: | -2.543 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.551 |
| InChI Key: | VBQSHFQPEZKBAL-HXUWFJFHSA-N |