4(1H)-Quinolinone, 2,3-dihydro-1-((4-methylphenyl)sulfonyl)-3-(phenylmethylene)-, (E)-
Basic information
- CAS
76263-65-5- Standard SMILES
Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccccc3)C(=O)c3ccccc32)cc1- InChIKey
BZTIDBUAGDWBLA-XDJHFCHBSA-N- Molecular formula
- C23H19NO3S
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.10856464
Names & identifiers
- Preferred name
- 4(1H)-Quinolinone, 2,3-dihydro-1-((4-methylphenyl)sulfonyl)-3-(phenylmethylene)-, (E)-
- IUPAC
- (3E)-3-benzylidene-1-(4-methylphenyl)sulfonyl-2H-quinolin-4-one
- English name
- (E)-1-((4-Methylphenyl)sulfonyl)-3-(phenylmethylene)-2,3-dihydro-4(1H) -quinolinone
- Molecular formula
- C23H19NO3S
- Molecular weight
- 389.47
Names & synonyms
76263-65-54(1H)-Quinolinone, 2,3-dihydro-1-((4-methylphenyl)sulfonyl)-3-(phenylmethylene)-, (E)-RefChem:1069083trans-N-Tosyl-3-benzylidene-2,3-dihydro-4-quinoloneBRN 4559257(3E)-3-benzylidene-1-(4-methylphenyl)sulfonyl-2H-quinolin-4-one(E)-1-((4-Methylphenyl)sulfonyl)-3-(phenylmethylene)-2,3-dihydro-4(1H)-quinolinoneSCHEMBL28973111SCHEMBL29754844(E)-1-((4-Methylphenyl)sulfonyl)-3-(phenylmethylene)-2,3-dihydro-4(1H) -quinolinone4(1H)-Quinolinone, 2,3-dihydro-1-[(4-methylphenyl)sulfonyl]-3-(phenylmethylene)-, (3E)-
Database identifiers
- CAS
76263-65-5- PubChem CID
- 6447481
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 694
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Compound notes
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