2-(1-(Ethoxyimino)propyl)-3-hydroxy-5-(4-(5-(methylsulfonyl)-2-pyridylthio)phenyl)cyclohex-2-en-1-one
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Basic information
- Standard SMILES
CCON=C(CC)C1=C(O)CC(c2ccc(Sc3ccc(S(C)(=O)=O)cn3)cc2)CC1=O- InChIKey
RGYYFMGKTJTOFM-UHFFFAOYSA-N- Molecular formula
- C23H26N2O5S2
- Average molar mass
- 474.6 g/mol
Names & identifiers
- Preferred name
- 2-(1-(Ethoxyimino)propyl)-3-hydroxy-5-(4-(5-(methylsulfonyl)-2-pyridylthio)phenyl)cyclohex-2-en-1-one
- IUPAC
- 2-(N-ethoxy-C-ethylcarbonimidoyl)-3-hydroxy-5-[4-[(5-methylsulfonyl-2-pyridinyl)sulfanyl]phenyl]cyclohex-2-en-1-one
Names & synonyms
SCHEMBL9752075RGYYFMGKTJTOFM-UHFFFAOYSA-N2-(1-(Ethoxyimino)propyl)-3-hydroxy-5-(4-(5-(methylsulfonyl)-2-pyridylthio)phenyl)cyclohex-2-en-1-one
Database identifiers
- PubChem CID
- 136209488
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 826
Related reactions
1 records
Compound notes
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