Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed Z   > ZINC49411396
1376328-52-7 structure

ZINC49411396

Iupac Name:6,8-dichloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CAS No.:1376328-52-7
Molecular Weight:252.563
Molecular Formula:C18H23N3O4 (isomer)
Names and Identifiers
Synonyms

AKOS021931796 F3406-9913 MCULE-1046159169 MOLPORT-009-718-498 n~1~-butyl-2-[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1h)-yl]acetamide n-butyl-2-(1,1-dioxido-4-(p-tolyl)-3,4-dihydro-2h-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)acetamide

Inchi
InChI=1S/C10H11Cl2N.ClH/c1-6-10-7(2-3-13-6)4-8(11)5-9(10)12;/h4-6,13H,2-3H2,1H3;1H
InChkey
XSZPAJJPBMCIAO-UHFFFAOYSA-N
Canonical Smiles
CC1C2=C(C=C(C=C2CCN1)Cl)Cl.Cl
Computational chemical data
  • Molecular Weight:252.563g/mol
  • Molecular Formula:C18H23N3O4
  • Compound Is Canonicalized:True
  • Exact Mass:251.004
  • Monoisotopic Mass:251.004
  • Complexity:186
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByAAAGAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHAIQAAAADCrBGCQyAILAAACA AiBCAACCAAAgBQAAiIAIBogIICKBkxGEIAhgkACIiAcQgIAOhAAAIACRAAAIAABAASIAAAAAAAAA AA==
 
<