4-(6-fluoro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoate
Basic information
- CAS
6737-12-8- Standard SMILES
O=C([O-])c1ccc(-n2c(=S)[nH]c3ccc(F)cc3c2=O)cc1- InChIKey
KZECOOQQDDXYAN-UHFFFAOYSA-M- Molecular formula
- C15H8FN2O3S-
- Average molar mass
- 315.3 g/mol
- Monoisotopic mass
- 315.02396646
Names & identifiers
- Preferred name
- 4-(6-fluoro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoate
- IUPAC
- 4-(6-fluoro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoate
Names & synonyms
6737-12-8AC1NQSQ8DTXSID304115894-(6-Fluoro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoate
Database identifiers
- CAS
6737-12-8- PubChem CID
- 5228099
- DTXSID
DTXSID30411589
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- -1
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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