ethyl (2E)-5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Basic information
- CAS
5833-16-9- Standard SMILES
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1ccc2c(c1)OCO2- InChIKey
RECUFJCOIKJSRE-SRZZPIQSSA-N- Molecular formula
- C27H26N2O8S
- Average molar mass
- 538.6 g/mol
- Monoisotopic mass
- 538.14098697
Names & identifiers
- Preferred name
- ethyl (2E)-5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl (2E)-5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Names & synonyms
5833-16-9ethyl 5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateST51007398ethyl (2E)-5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateDTXSID40416661AKOS024371131Ethyl (2E)-5-(2H-1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateethyl 5-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-7-methyl-3-oxo-2-[(3,4,5-trimethoxy phenyl)methylene]-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
5833-16-9- PubChem CID
- 5337097
- DTXSID
DTXSID40416661
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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