2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | Y501-9271 |
| Compound Name: | 2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 541.67 |
| Molecular Formula: | C30 H31 N5 O3 S |
| Smiles: | CCn1c(C)c(\C=C2/C(N3C(C(=C(C)N=C3S2)C(Nc2ccccc2C)=O)c2ccc(cc2)OC)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1369 |
| logD: | 4.1358 |
| logSw: | -4.1867 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.209 |
| InChI Key: | UAYRMXURHSEDCV-HHHXNRCGSA-N |