Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6772423
1179361-28-4 structure

T6772423

Iupac Name:1-piperidin-4-ylazetidine-3-carboxylic acid;dihydrochloride
CAS No.:1179361-28-4
Molecular Weight:257.155
Molecular Formula:C17H20FN5O (isomer)
Names and Identifiers
Synonyms

1-({3-[(azepan-1-yl)methyl]phenyl}methyl)-3-(1,3-thiazol-2-yl)urea MCULE-8541480125 MOLPORT-009-113-050 Z951545418 ZINC57981121

Inchi
InChI=1S/C9H16N2O2.2ClH/c12-9(13)7-5-11(6-7)8-1-3-10-4-2-8;;/h7-8,10H,1-6H2,(H,12,13);2*1H
InChkey
GVIJVMZZPJMUBY-UHFFFAOYSA-N
Canonical Smiles
C1CNCCC1N2CC(C2)C(=O)O.Cl.Cl
Computational chemical data
  • Molecular Weight:257.155g/mol
  • Molecular Formula:C17H20FN5O
  • Compound Is Canonicalized:True
  • Exact Mass:256.075
  • Monoisotopic Mass:256.075
  • Complexity:196
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADceBzMAAGAAAAAAAAAAAAAABYAAAAAAAsAAAAAAAAAAAAAAAAHgAQCAAADSjBgAQACAPAAgAI AACQCAAAAAAAAAAAAIEIAAAAAAoAwAAEQAACEACAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-25-66112885
  • Fax:86-25-66112885
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-25-66112885
  • Fax:86-25-66112885
 
<