1-(4-fluorophenyl)-3-[[5-[(2S)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
AlkaPlorer ID: AK468381
Synonym: None
IUPAC Name: 1-(4-fluorophenyl)-3-[[5-[(2S)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methyl]urea
Structure
SMILES: O=C(NCC1=NOC([C@@H]2CCC(=O)N2CC2=CC=NC=C2)=N1)NC1=CC=C(F)C=C1
InChI: InChI=1S/C20H19FN6O3/c21-14-1-3-15(4-2-14)24-20(29)23-11-17-25-19(30-26-17)16-5-6-18(28)27(16)12-13-7-9-22-10-8-13/h1-4,7-10,16H,5-6,11-12H2,(H2,23,24,29)/t16-/m0/s1
InChIKey: NMFRASDOMAFZIW-INIZCTEOSA-N
Reference
PubChem CID: 145872652
Source
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Properties Information
Molecule Weight: 410.409
TPSA？: 113.25
MolLogP？: 2.7891000000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
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