N-({5-[3-(furan-2-yl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]octan-2-yl}methyl)-2H-1,3-benzodioxole-5-carboxamide
AlkaPlorer ID: AK169223
Synonym: None
IUPAC Name: N-[[(2R,4S,5R)-5-[5-(furan-2-yl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
Structure
SMILES: CN1N=C(C2=CC=CO2)C=C1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)C1=CC=C2OCOC2=C1
InChI: InChI=1S/C24H26N4O4/c1-27-20(11-19(26-27)21-3-2-8-30-21)18-13-28-7-6-15(18)9-17(28)12-25-24(29)16-4-5-22-23(10-16)32-14-31-22/h2-5,8,10-11,15,17-18H,6-7,9,12-14H2,1H3,(H,25,29)/t15-,17+,18-/m0/s1
InChIKey: YTMZDGOZUFCQTJ-JQHSSLGASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 434.4960000000002
TPSA？: 81.76
MolLogP？: 3.0166000000000013
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|