methyl 2-[(2-chloro-6-fluorophenyl)methylidene]-5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-chloro-6-fluorophenyl)methylidene]-5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 2-[(2-chloro-6-fluorophenyl)methylidene]-5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y500-3666 |
| Compound Name: | methyl 2-[(2-chloro-6-fluorophenyl)methylidene]-5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 460.91 |
| Molecular Formula: | C21 H18 Cl F N4 O3 S |
| Smiles: | CC1=C(C(c2cnn(C)c2C)N2C(=N1)SC(=C\c1c(cccc1[Cl])F)\C2=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9064 |
| logD: | 2.9064 |
| logSw: | -3.4708 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.654 |
| InChI Key: | IGQJKIPELXTMAV-SFHVURJKSA-N |