N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
AlkaPlorer ID: AK477836
Synonym: None
IUPAC Name: N-[1-[(3S,5S)-5-[[2-(dimethylamino)-2-oxoethoxy]methyl]-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]cyclopropanecarboxamide
Structure
SMILES: CN(C)C(=O)COC[C@@H]1C[C@H](N2C=C(NC(=O)C3CC3)C=N2)CN1CC1=CC=C(F)C=C1
InChI: InChI=1S/C23H30FN5O3/c1-27(2)22(30)15-32-14-21-9-20(13-28(21)11-16-3-7-18(24)8-4-16)29-12-19(10-25-29)26-23(31)17-5-6-17/h3-4,7-8,10,12,17,20-21H,5-6,9,11,13-15H2,1-2H3,(H,26,31)/t20-,21-/m0/s1
InChIKey: OIMXYHSGVHXIDX-SFTDATJTSA-N
Reference
Essential oils of Toona and Cedrela Species (Meliaceae): taxonomic and ecological implications
PubChem CID: 146119313
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 443.52300000000025
TPSA？: 79.7
MolLogP？: 2.2911
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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