2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | Y501-9819 |
| Compound Name: | 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-N-(2-methylphenyl)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 565.72 |
| Molecular Formula: | C31 H27 N5 O2 S2 |
| Smiles: | CC1=C(C(c2cccs2)N2C(=N1)SC(=C\c1c(C)nn(c3ccccc3)c1C)\C2=O)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9627 |
| logD: | 4.9611 |
| logSw: | -4.6344 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.823 |
| InChI Key: | PHQPGSXHYJHACX-MUUNZHRXSA-N |