Basic information
- CAS
51493-34-6- Standard SMILES
CCCCOc1ccc(C(=O)CCn2c(CN3CCN(C/C=C/c4ccccc4)CC3)nc3ccccc32)cc1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
KHSMDDKVOCDBEN-DVHCJWIYSA-N- Molecular formula
- C42H48N4O10
- Average molar mass
- 768.8 g/mol
- Monoisotopic mass
- 768.33704374
Names & identifiers
- Preferred name
- 1-Propanone, 1-(4-butoxyphenyl)-3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazolyl-1-yl)-, (Z)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);1-(4-butoxyphenyl)-3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]propan-1-one
Names & synonyms
1-Propanone, 1-(4-butoxyphenyl)-3-(2-((4-(3-phenyl-2-propenyl)-1-piperazinyl)methyl)-1H-benzimidazolyl-1-yl)-, (Z)-2-butenedioate (1:2)51493-34-6RefChem:1056949
Database identifiers
- CAS
51493-34-6- PubChem CID
- 6445899
Properties
Computed structural properties
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 17
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 887
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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