Basic information
- CAS
76263-68-8- Standard SMILES
COc1ccc2c(c1)C(=O)/C(=C/c1ccccc1)CN2S(=O)(=O)c1ccc(C)cc1- InChIKey
YOECUJINAZKMNE-XMHGGMMESA-N- Molecular formula
- C24H21NO4S
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.11912932
Names & identifiers
- Preferred name
- 4(1H)-Quinolinone, 2,3-dihydro-6-methoxy-1-((4-methylphenyl)sulfonyl)-3-(phenylmethylene)-, (E)-
- IUPAC
- (3E)-3-benzylidene-6-methoxy-1-(4-methylphenyl)sulfonyl-2H-quinolin-4-one
Names & synonyms
4(1H)-Quinolinone, 2,3-dihydro-6-methoxy-1-((4-methylphenyl)sulfonyl)-3-(phenylmethylene)-, (E)-76263-68-8RefChem:1069085BRN 4579434(E)-6-Methoxy-1-((4-methylphenyl)sulfonyl)-3-(phenylmethylene)-2,3-dihydro-4(1H)-quinolinone
Database identifiers
- CAS
76263-68-8- PubChem CID
- 6447482
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 742
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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