methyl 7-methyl-3-oxo-5-phenyl-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-methyl-3-oxo-5-phenyl-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 7-methyl-3-oxo-5-phenyl-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y500-8033 |
| Compound Name: | methyl 7-methyl-3-oxo-5-phenyl-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C25 H20 N4 O3 S |
| Smiles: | CC1=C(C(c2ccccc2)N2C(=N1)SC(=C/c1c[nH]nc1c1ccccc1)\C2=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0658 |
| logD: | 4.0658 |
| logSw: | -4.2058 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.357 |
| InChI Key: | JLQPNVOTYQPMRQ-JOCHJYFZSA-N |