Basic information
- Standard SMILES
COc1cc(C=Nc2ccc(N3CCCC3)cc2NC(=O)c2ccccc2)cc(OC)c1OC- InChIKey
XNTBCQKMOQGQTF-UHFFFAOYSA-N- Molecular formula
- C27H29N3O4
- Average molar mass
- 459.5 g/mol
Names & identifiers
- Preferred name
- (E)-N-(5-(pyrrolidin-1-yl)-2-(3,4,5-trimethoxybenzylideneamino)phenyl)benzamide
- IUPAC
- N-[5-pyrrolidin-1-yl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]benzamide
Names & synonyms
SCHEMBL3120353SCHEMBL3120360XNTBCQKMOQGQTF-MTDXEUNCSA-N(E)-N-(5-(pyrrolidin-1-yl)-2-(3,4,5-trimethoxybenzylideneamino)phenyl)benzamide
Database identifiers
- PubChem CID
- 68519118
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 648
Related reactions
2 records
Linked notes
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