methyl 5-[4-(diethylamino)phenyl]-2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 5-[4-(diethylamino)phenyl]-2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 5-[4-(diethylamino)phenyl]-2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y502-6998 |
| Compound Name: | methyl 5-[4-(diethylamino)phenyl]-2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C26 H31 N5 O3 S |
| Smiles: | CCN(CC)c1ccc(cc1)C1C(=C(C)N=C2N1C(/C(=C\c1cn(CC)nc1C)S2)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6652 |
| logD: | 3.3766 |
| logSw: | -3.7088 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.759 |
| InChI Key: | PDNGSODLRYLQKX-HSZRJFAPSA-N |