methyl 5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y500-3685 |
| Compound Name: | methyl 5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | CC(C)c1ccc(\C=C2/C(N3C(C(=C(C)N=C3S2)C(=O)OC)c2cnn(C)c2C)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8104 |
| logD: | 3.8104 |
| logSw: | -3.9608 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.654 |
| InChI Key: | UHJYEVMMTVECPA-OAQYLSRUSA-N |