2-amino-6-(4-methylphenyl)-4-phenyl-4H-pyran-3,5-dicarbonitrile
Basic information
- CAS
64646-39-5- Standard SMILES
Cc1ccc(C2=C(C#N)C(c3ccccc3)C(C#N)=C(N)O2)cc1- InChIKey
AQCFDHRGYJMAFT-UHFFFAOYSA-N- Molecular formula
- C20H15N3O
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.12151211
Names & identifiers
- Preferred name
- 2-amino-6-(4-methylphenyl)-4-phenyl-4H-pyran-3,5-dicarbonitrile
- IUPAC
- 2-amino-6-(4-methylphenyl)-4-phenyl-4H-pyran-3,5-dicarbonitrile
Names & synonyms
64646-39-5NSC3432172-amino-6-(4-methylphenyl)-4-phenyl-4H-pyran-3,5-dicarbonitrileDTXSID60319266NSC-343217DS-0151044H-PYRAN-3,5-DICARBONITRILE,2-AMINO-6-(4-METHYLPHENYL)-4-PHENYL-
Database identifiers
- CAS
64646-39-5- PubChem CID
- 335073
- DTXSID
DTXSID60319266
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 643
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Compound notes
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