Basic information
- CAS
326906-35-8- Standard SMILES
COc1cc(C=NNc2nc(Nc3ccc(C)cc3)nc(N3CCC(Cc4ccccc4)CC3)n2)ccc1OCc1ccc(Cl)cc1Cl- InChIKey
DGBQFEZLFSTPGS-UHFFFAOYSA-N- Molecular formula
- C37H37Cl2N7O2
- Average molar mass
- 682.6 g/mol
Names & identifiers
- Preferred name
- 6-(4-benzylpiperidin-1-yl)-2-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-(4-benzylpiperidin-1-yl)-2-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
- English name
- 4-[(2,4-dichlorobenzyl)oxy]-3-methoxybenzaldehyde [4-(4-benzyl-1-piperidinyl)-6-(4-toluidino)-1,3,5-triazin-2-yl]hydrazone
- Molecular formula
- C37H37Cl2N7O2
- Molecular weight
- 682.64
Names & synonyms
4-[(2,4-dichlorobenzyl)oxy]-3-methoxybenzaldehyde [4-(4-benzyl-1-piperidinyl)-6-(4-toluidino)-1,3,5-triazin-2-yl]hydrazone
Database identifiers
- CAS
326906-35-8
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 960
Physicochemical properties
- Boiling point
- 818.59 · 818.590±75.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.301 · 1.301±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.534 · 11.534±0.10(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…