2-hydroxy-N-[[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2,2-diphenylacetamide
Basic information
- CAS
330860-90-7- Standard SMILES
Cc1cc(C=NNC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(O)cc1- InChIKey
PSKYZNHGRRTIOU-UHFFFAOYSA-N- Molecular formula
- C27H25N3O3
- Average molar mass
- 439.5 g/mol
Names & identifiers
- Preferred name
- 2-hydroxy-N-[[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2,2-diphenylacetamide
- IUPAC
- 2-hydroxy-N-[[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2,2-diphenylacetamide
- English name
- 2-hydroxy-N'-{[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2,2-diphenylacetohydrazide
- Molecular formula
- C27H25N3O3
- Molecular weight
- 439.51
Names & synonyms
2-hydroxy-N'-{[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2,2-diphenylacetohydrazideBenzeneacetic acid, α-hydroxy-α-phenyl-, 2-[[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]hydrazide
Database identifiers
- CAS
330860-90-7
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 646
Physicochemical properties
- Density
- 1.193 · 1.193±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.719 · 8.719±0.30(predicted)
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Compound notes
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