3-(3-(Phenyl((((R)-quinuclidin-3-yloxy)carbonyl)amino)methyl)phenoxy)propyl 4-((1,3-dioxolan-2-yl)methyl)benzoate

HCID 71093290

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Basic information

Standard SMILES: O=C(NC(c1ccccc1)c1cccc(OCCCOC(=O)c2ccc(CC3OCCO3)cc2)c1)O[C@H]1CN2CCC1CC2
InChIKey: QWTHERMEOGAKQX-MOJIJOCKSA-N
Molecular formula: C35H40N2O7
Average molar mass: 600.7 g/mol

Names & identifiers

Preferred name: 3-(3-(Phenyl((((R)-quinuclidin-3-yloxy)carbonyl)amino)methyl)phenoxy)propyl 4-((1,3-dioxolan-2-yl)methyl)benzoate
IUPAC: 3-[3-[[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxycarbonylamino]-phenylmethyl]phenoxy]propyl 4-(1,3-dioxolan-2-ylmethyl)benzoate

Names & synonyms

SCHEMBL14166309QWTHERMEOGAKQX-MOJIJOCKSA-N3-(3-(Phenyl((((R)-quinuclidin-3-yloxy)carbonyl)amino)methyl)phenoxy)propyl 4-((1,3-dioxolan-2-yl)methyl)benzoate

Database identifiers

PubChem CID: 71093290

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 95.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 14
Heavy atoms: 44
Formal charge: 0
Complexity: 892

Related reactions

1 records

New reaction record

HRID 332708As productuspto-grants-2014_11

Compound notes

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