Basic information
- CAS
5516-24-5- Standard SMILES
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cccc(C(=O)O)c1- InChIKey
IPHMQUWNNRQJRE-UHFFFAOYSA-N- Molecular formula
- C23H17N3O4S
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.09397721
Names & identifiers
- Preferred name
- 3-[[2-(4-Oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]benzoic acid
- IUPAC
- 3-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]benzoic acid
Names & synonyms
5516-24-53-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]benzoic acidDTXSID204107083-{2-[(4-OXO-3-PHENYL-3,4-DIHYDROQUINAZOLIN-2-YL)SULFANYL]ACETAMIDO}BENZOIC ACID
Database identifiers
- CAS
5516-24-5- PubChem CID
- 5217005
- DTXSID
DTXSID20410708
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 722
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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