2-[[2-(3-Methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
Basic information
- CAS
797024-95-4- Standard SMILES
Cn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O- InChIKey
FGTRLAKOASFRSP-UHFFFAOYSA-N- Molecular formula
- C16H14N4O3S2
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.05073267
Names & identifiers
- Preferred name
- 2-[[2-(3-Methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
- IUPAC
- 2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
Names & synonyms
2-[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamideMLS002155893CHEMBL1697945DTXSID201329297HMS3082N05AKOS033905948797024-95-4SMR001238411AB00741101-01SR-01000074162SR-01000074162-1Z24195992
Show more names
2-{2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamido}thiophene-3-carboxamide
Database identifiers
- CAS
797024-95-4- PubChem CID
- 5239489
- DTXSID
DTXSID201329297- ChEMBL
CHEMBL1697945
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 598
Experimental & physicochemical properties
Solubility3.8 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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