(4E)-4-[aziridin-1-yl(methylsulfanyl)methylidene]-2,5-diphenylpyrazol-3-one
Basic information
- CAS
61254-27-1- Standard SMILES
CS/C(=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1)N1CC1- InChIKey
CTGDIGJBAJFNMZ-KNTRCKAVSA-N- Molecular formula
- C19H17N3OS
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.10923335
Names & identifiers
- Preferred name
- (4E)-4-[aziridin-1-yl(methylsulfanyl)methylidene]-2,5-diphenylpyrazol-3-one
- IUPAC
- (4E)-4-[aziridin-1-yl(methylsulfanyl)methylidene]-2,5-diphenylpyrazol-3-one
Names & synonyms
NSC26999161254-27-1DTXSID40418448NSC-269991(4E)-4-[(Aziridin-1-yl)(methylsulfanyl)methylidene]-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
61254-27-1- PubChem CID
- 5358652
- DTXSID
DTXSID40418448- Nikkaji
- J1.179.707E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 555
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Compound notes
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