Basic information
- CAS
336179-96-5- Standard SMILES
CCCN1CC(=Cc2ccc(Cl)cc2)C2=C(C1)C(c1ccc(Cl)cc1)C(C#N)=C(N)O2- InChIKey
CEPYUCICWJSNHB-UHFFFAOYSA-N- Molecular formula
- C25H23Cl2N3O
- Average molar mass
- 452.4 g/mol
Names & identifiers
- Preferred name
- 2-amino-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-propyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
- IUPAC
- 2-amino-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-propyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
- English name
- 2-amino-8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-6-propyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
- Molecular formula
- C25H23Cl2N3O
- Molecular weight
- 452.38
Names & synonyms
Oprea1_2406702-amino-8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-6-propyl-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile4H-Pyrano[3,2-c]pyridine-3-carbonitrile, 2-amino-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylene]-5,6,7,8-tetrahydro-6-propyl-
Database identifiers
- CAS
336179-96-5
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 808
Physicochemical properties
- Boiling point
- 682.3 · 682.3±55.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 5.63 · 5.63±0.70(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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