Basic information
- Standard SMILES
COc1cc(C(=O)N2CCC(CCN3CCC(Nc4nc5ccccc5n4Cc4ccc(CO)o4)CC3)(c3ccccc3)C2)cc(OC)c1OC- InChIKey
ZWVLQBGQBCJJSJ-UHFFFAOYSA-N- Molecular formula
- C40H47N5O6
- Average molar mass
- 693.8 g/mol
Names & identifiers
- Preferred name
- 1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(5-hydroxymethylfur-2-ylmethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine
- IUPAC
- [3-[2-[4-[[1-[[5-(hydroxymethyl)furan-2-yl]methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-phenylpyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Names & synonyms
SCHEMBL6994420ZWVLQBGQBCJJSJ-UHFFFAOYSA-N1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(5-hydroxymethylfur-2-ylmethyl)-1H-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-phenylpyrrolidine
Database identifiers
- PubChem CID
- 9874834
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
2 records
Compound notes
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