Basic information
- Standard SMILES
CCOCCn1c(NC2CCN(CCC3(c4ccc(F)cc4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21.CS(=O)(=O)O- InChIKey
LIJOPQIOVXBZBJ-UHFFFAOYSA-N- Molecular formula
- C39H52FN5O8S
- Average molar mass
- 769.9 g/mol
Names & identifiers
- Preferred name
- 1-(3,4,5-Trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1h-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(4-fluorophenyl)pyrrolidine methanesulfonic acid salt
- IUPAC
- [3-[2-[4-[[1-(2-ethoxyethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;methanesulfonic acid
Names & synonyms
SCHEMBL6996020LIJOPQIOVXBZBJ-UHFFFAOYSA-N1-(3,4,5-trimethoxybenzoyl)-3-(2-(4-(1-(2-ethoxyethyl)-1h-benzimidazol-2-yl-amino)piperidin-1-yl)ethyl)-3-(4-fluorophenyl)pyrrolidine methanesulfonic acid salt
Database identifiers
- PubChem CID
- 22009129
Properties
Computed structural properties
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
1 records
Compound notes
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