ethyl 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Basic information
- CAS
5673-99-4- Standard SMILES
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2C1c1ccc(OC)c(OC)c1- InChIKey
SMEIUHFNFXMOQN-UHFFFAOYSA-N- Molecular formula
- C27H27N3O9S
- Average molar mass
- 569.6 g/mol
- Monoisotopic mass
- 569.14680062
Names & identifiers
- Preferred name
- ethyl 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
5673-99-4ethyl 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateChemDiv1_001262Oprea1_121253DTXSID90386360Ethyl 2-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateAKOS030750147UPCMLD0ENAT0507-6161:001
Database identifiers
- CAS
5673-99-4- PubChem CID
- 2860720
- DTXSID
DTXSID90386360
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,090
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Compound notes
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