2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-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]-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | Y502-0364 |
| Compound Name: | 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-(4-hydroxy-3-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 591.69 |
| Molecular Formula: | C33 H29 N5 O4 S |
| Smiles: | CC1=C(C(c2ccc(c(c2)OC)O)N2C(=N1)SC(=C\c1c(C)nn(c3ccccc3)c1C)\C2=O)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3994 |
| logD: | 4.3969 |
| logSw: | -4.1004 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.681 |
| InChI Key: | SGYMHWOHPCJKQP-SSEXGKCCSA-N |