Ammonium, (2-((3,4-dihydro-7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)diethylmethyl-, iodide
Basic information
- CAS
15589-19-2- Standard SMILES
CC[N+](C)(CC)CCSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1.[I-]- InChIKey
CIHUJRGMEYGYOL-UHFFFAOYSA-M- Molecular formula
- C21H25ClIN3OS
- Average molar mass
- 529.9 g/mol
- Monoisotopic mass
- 529.04516
Names & identifiers
- Preferred name
- Ammonium, (2-((3,4-dihydro-7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)diethylmethyl-, iodide
- IUPAC
- 2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl-diethyl-methylazanium iodide
Names & synonyms
15589-19-2Ammonium, (2-((3,4-dihydro-7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)diethylmethyl-, iodideRefChem:318698DTXSID209353052-[(7-Chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]-N,N-diethyl-N-methylethan-1-aminium iodide
Database identifiers
- CAS
15589-19-2- PubChem CID
- 27405
- DTXSID
DTXSID20935305
Properties
Computed structural properties
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 546
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Compound notes
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