methyl 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 4215-0291 |
| Compound Name: | methyl 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 495.51 |
| Molecular Formula: | C24 H21 N3 O7 S |
| Smiles: | CC1=C(C(c2ccccc2)N2C(=N1)SC(=C/c1cc(c(cc1[N+]([O-])=O)OC)OC)\C2=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4831 |
| logD: | 3.4831 |
| logSw: | -3.929 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.509 |
| InChI Key: | VYFYOZNAZGEHIH-OAQYLSRUSA-N |