Basic information
- Standard SMILES
CCn1c(=O)[nH]c2c(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OCCCOCc4ccccc4OC)cc3)cccc21- InChIKey
WNFFSOHEUAMTDE-UHFFFAOYSA-N- Molecular formula
- C40H45N3O7
- Average molar mass
- 679.8 g/mol
- Monoisotopic mass
- 679.32575078
Names & identifiers
- Preferred name
- Benzyl 3-(1-ethyl-2-oxo-2,3-dihydro-1H-benzimidazol-4-ylmethoxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate
- IUPAC
- benzyl 3-[(1-ethyl-2-oxo-3H-benzimidazol-4-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3073827WNFFSOHEUAMTDE-UHFFFAOYSA-NBenzyl 3-(1-ethyl-2-oxo-2,3-dihydro-1H-benzimidazol-4-ylmethoxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 68501932
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
4 records
Compound notes
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