2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)sulfonyl)ethanol
Basic information
- CAS
6965-86-2- Standard SMILES
Cc1c2ccccc2nc(CS(=O)(=O)CCO)[n+]1[O-]- InChIKey
WUXYFJWDGCRDEB-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4S
- Average molar mass
- 282.32 g/mol
- Monoisotopic mass
- 282.06742811
Names & identifiers
- Preferred name
- 2-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)sulfonyl)ethanol
- IUPAC
- 2-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methylsulfonyl]ethanol
Names & synonyms
6965-86-22-(((4-Methyl-3-oxido-2,3-dihydro-2-quinazolinyl)methyl)sulfonyl)ethanolNSC64061NSC 64061DTXSID60219919NSC-640612-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methylsulfonyl]ethanol2-[(4-Methyl-3-oxo-3lambda~5~-quinazolin-2-yl)methanesulfonyl]ethan-1-ol
Database identifiers
- CAS
6965-86-2- PubChem CID
- 494013
- DTXSID
DTXSID60219919
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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