methyl 2-[(2,3-dichlorophenyl)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-[(2,3-dichlorophenyl)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-[(2,3-dichlorophenyl)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: | Y500-3672 |
| Compound Name: | methyl 2-[(2,3-dichlorophenyl)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: | 477.37 |
| Molecular Formula: | C21 H18 Cl2 N4 O3 S |
| Smiles: | CC1=C(C(c2cnn(C)c2C)N2C(=N1)SC(=C\c1cccc(c1[Cl])[Cl])\C2=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7731 |
| logD: | 3.7731 |
| logSw: | -4.1955 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.654 |
| InChI Key: | HWQGXXAMEGPPFV-SFHVURJKSA-N |