5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | Y501-4579 |
| Compound Name: | 5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 561.66 |
| Molecular Formula: | C32 H27 N5 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)OC)N2C(=N1)SC(=C\c1c[nH]nc1c1ccccc1)\C2=O)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.148 |
| logD: | 5.1469 |
| logSw: | -5.0951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.121 |
| InChI Key: | SMDXJXRMGSKJKE-GDLZYMKVSA-N |