5-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
5-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
5-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | Y501-9821 |
| Compound Name: | 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-N-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 580.11 |
| Molecular Formula: | C32 H26 Cl N5 O2 S |
| Smiles: | CC1=C(C(c2ccc(cc2)[Cl])N2C(=N1)SC(=C\c1c(C)nn(c3ccccc3)c1C)\C2=O)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7484 |
| logD: | 5.7477 |
| logSw: | -6.2356 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.503 |
| InChI Key: | LXHFYOYUXDNQST-LJAQVGFWSA-N |