2-(4-acetylphenyl)-7,8-dimethoxy-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
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Basic information
- CAS
1009507-55-4- Standard SMILES
COc1cc2c(cc1OC)CN1C(=S)N(c3ccc(C(C)=O)cc3)C(=O)C1C2- InChIKey
WDMWEJQAUXYPNE-UHFFFAOYSA-N- Molecular formula
- C21H20N2O4S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.1143783
Names & identifiers
- Preferred name
- 2-(4-acetylphenyl)-7,8-dimethoxy-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-one
- IUPAC
- 2-(4-acetylphenyl)-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one
- English name
- 2-(4-ACETYLPHENYL)-7,8-DIMETHOXY-3-THIOXO-2,3,10,10A-TETRAHYDROIMIDAZO[1,5-B]ISOQUINOLIN-1(5H)-ONE
- Molecular formula
- C21H20N2O4S
- Molecular weight
- 396.46
Names & synonyms
2-(4-acetylphenyl)-7,8-dimethoxy-3-thioxo-2,3,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-1(5H)-oneSTK207472AKOS002332752AKOS016321880ST507665651-acetyl-4-(7,8-dimethoxy-1-oxo-3-thioxo(4,5,10,10a-tetrahydro-10aH-1,3-diazol idino[3,4-b]isoquinolin-2-yl))benzeneTOSLAB 865328Imidazo[1,5-b]isoquinolin-1(5H)-one, 2-(4-acetylphenyl)-2,3,10,10a-tetrahydro-7,8-dimethoxy-3-thioxo-
Database identifiers
- CAS
1009507-55-4- PubChem CID
- 4874316
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 648
Related reactions
0 records
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Compound notes
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