2-(benzyloxy)benzaldehyde [4-(4-chloroanilino)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]hydrazone
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Basic information
- CAS
957491-87-1- Standard SMILES
Cc1cc(C)n(-c2nc(N/N=C/c3ccccc3OCc3ccccc3)nc(Nc3ccc(Cl)cc3)n2)n1- InChIKey
XNVRAVXKZWWXOG-OCSSWDANSA-N- Molecular formula
- C28H25ClN8O
- Average molar mass
- 525 g/mol
- Monoisotopic mass
- 524.1839851
Names & identifiers
- Preferred name
- 2-(benzyloxy)benzaldehyde [4-(4-chloroanilino)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]hydrazone
- IUPAC
- 4-N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
- English name
- 2-(benzyloxy)benzaldehyde [4-(4-chloroanilino)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]hydrazone
- Molecular formula
- C28H25ClN8O
- Molecular weight
- 525.01
Names & synonyms
2-(benzyloxy)benzaldehyde [4-(4-chloroanilino)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]hydrazoneAK-968/37005179STL405221AKOS0039210774-{(2E)-2-[2-(benzyloxy)benzylidene]hydrazinyl}-N-(4-chlorophenyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazin-2-amine4-N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)-2-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
957491-87-1- PubChem CID
- 9668530
Properties
Computed structural propertiesFilling in
- XLogP
- 7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 732
Physicochemical properties
- Boiling point
- 752.753 · 752.753±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.319 · 1.319±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.54 · 9.540±0.10(predicted)
Related reactions
0 records
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Compound notes
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