2-({4-[(E)-{2-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]-2-ethoxyphenoxy}methyl)benzonitrile
Basic information
- CAS
496769-85-8- Standard SMILES
CCOc1cc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)ccc1OCc1ccccc1C#N- InChIKey
IXSHWPUVPCSMHJ-AJBULDERSA-N- Molecular formula
- C29H33N7O2
- Average molar mass
- 511.6 g/mol
Names & identifiers
- Preferred name
- 2-({4-[(E)-{2-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]-2-ethoxyphenoxy}methyl)benzonitrile
- IUPAC
- 2-[[4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]methyl]benzonitrile
- English name
- 2-[(4-{2-[2,6-di(1-pyrrolidinyl)-4-pyrimidinyl]carbohydrazonoyl}-2-ethoxyphenoxy)methyl]benzonitrile
- Molecular formula
- C29H33N7O2
- Molecular weight
- 511.61802
Names & synonyms
2-({4-[(E)-{2-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]-2-ethoxyphenoxy}methyl)benzonitrileSTK012699AKOS005376945AN-758/151060412-[(4-{2-[2,6-di(1-pyrrolidinyl)-4-pyrimidinyl]carbohydrazonoyl}-2-ethoxyphenoxy)methyl]benzonitrile2-[[4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]methyl]benzonitrile
Database identifiers
- CAS
496769-85-8
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 791
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Related reactions
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Compound notes
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