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Home> Hot Product Listed S   > STOCK1N-53734
1185309-92-5 structure

STOCK1N-53734

Iupac Name:1-(4-methylphenyl)sulfonyl-N-piperidin-4-ylbenzimidazol-2-amine;hydrochloride
CAS No.:1185309-92-5
Molecular Weight:406.929
Molecular Formula:C19H16FNO4 (isomer)
Names and Identifiers
Synonyms

(2-{2-[(7-methyl-2-oxo-4-propylchromen-5-yl)oxy]propanamido}acetamido)acetic acid 2-[[2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]acetyl]amino]acetic acid 2-{[2-({2-[(7-methyl-2-oxo-4-propyl-2h-chromen-5-yl)oxy]propanoyl}amino)acetyl]amino}acetic acid AC1MUXHJ AKOS016390893 BG01692178 MCULE-6199773986 MOLPORT-002-359-091 n-{2-[(7-methyl-2-oxo-4-propyl-2h-chromen-5-yl)oxy]propanoyl}glycylglycine STL461031

Inchi
InChI=1S/C19H22N4O2S.ClH/c1-14-6-8-16(9-7-14)26(24,25)23-18-5-3-2-4-17(18)22-19(23)21-15-10-12-20-13-11-15;/h2-9,15,20H,10-13H2,1H3,(H,21,22);1H
InChkey
VLPSCXLNJWTHIC-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2NC4CCNCC4.Cl
Computational chemical data
  • Molecular Weight:406.929g/mol
  • Molecular Formula:C19H16FNO4
  • Compound Is Canonicalized:True
  • Exact Mass:406.123
  • Monoisotopic Mass:406.123
  • Complexity:565
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:84.4A^2
  • Heavy Atom Count:27
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADceB7sABEAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHAQQQAAADCjBXgQz0bbIEAKg AyRiZHDCgD0hEqAJmLg4dJiIaKLA2ZGUIAhokALIyCcQgAAOEAAAAAAAACAgAAAAAAAAQAAAAAAA AA==
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