Basic information
- Standard SMILES
CCOCCn1c(NC2CCN(CCCC3(Cc4ccc(F)cc4)CCN(Cc4cc(OC)c(OC)c(OC)c4)C3=O)CC2)nc2ccccc21.CS(=O)(=O)O- InChIKey
COCZDJJYWWHXFT-UHFFFAOYSA-N- Molecular formula
- C41H56FN5O8S
- Average molar mass
- 798 g/mol
Names & identifiers
- Preferred name
- 1-(3,4,5-Trimethoxybenzyl)-3-(3-(4-(1-(2-ethoxyethyl)-1h-benzimidazol-2-yl-amino)piperidin-1-yl)propyl)-3-(4-fluorophenylmethyl)-2-oxopyrrolidine methanesulfonic acid salt
- IUPAC
- 3-[3-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propyl]-3-[(4-fluorophenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one;methanesulfonic acid
Names & synonyms
SCHEMBL6994783COCZDJJYWWHXFT-UHFFFAOYSA-N1-(3,4,5-trimethoxybenzyl)-3-(3-(4-(1-(2-ethoxyethyl)-1h-benzimidazol-2-yl-amino)piperidin-1-yl)propyl)-3-(4-fluorophenylmethyl)-2-oxopyrrolidine methanesulfonic acid salt
Database identifiers
- PubChem CID
- 22009303
Properties
Computed structural properties
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 17
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
1 records
Compound notes
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