Basic information
- CAS
590356-31-3- Standard SMILES
Cc1c(C(=O)Nn2c(=S)[nH]c3ccccc3c2=O)oc2ccccc12- InChIKey
RSCRTNRSBYQRMK-UHFFFAOYSA-N- Molecular formula
- C18H13N3O3S
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.06776246
Names & identifiers
- Preferred name
- 3-methyl-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1-benzofuran-2-carboxamide
- IUPAC
- 3-methyl-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-1-benzofuran-2-carboxamide
- English name
- 2-Benzofurancarboxamide,N-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)-3-methyl-(9CI)
- Molecular formula
- C18H13N3O3S
- Molecular weight
- 351.38
Names & synonyms
STK439723AKOS003328234ST50845245(3-methylbenzo[d]furan-2-yl)-N-(4-oxo-2-sulfanyl(3-hydroquinazolin-3-yl))carbo xamide3-methyl-N-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)-1-benzofuran-2-carboxamideN-(2-mercapto-4-oxo-3(4H)-quinazolinyl)-3-methyl-1-benzofuran-2-carboxamide2-Benzofurancarboxamide, N-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)-3-methyl-2-Benzofurancarboxamide,N-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)-3-methyl-(9CI)
Database identifiers
- CAS
590356-31-3- PubChem CID
- 3310238
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 584
Physicochemical properties
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 8.91 · 8.91±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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