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Home> Hot Product Listed 3   > 3-[[4-[4-(2,4-diamino-6-methylpyrimidin-5-yl)butyl]phenyl]carbamoyl]benzenesulfonyl fluoride,sulfuri...
17419-19-1 structure

3-[[4-[4-(2,4-diamino-6-methylpyrimidin-5-yl)butyl]phenyl]carbamoyl]benzenesulfonyl fluoride,sulfuric acid

Iupac Name:2,4-bis(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CAS No.:17419-19-1
Molecular Weight:523.75000
Molecular Formula:C13H24SI2 (isomer)
Names and Identifiers
Synonyms

DTXSID50715157 nsc120932 nsc-120932 sulfuric acid--3-({4-[4-(2,4-diamino-6-methylpyrimidin-5-yl)butyl]phenyl}carbamoyl)benzene-1-sulfonyl fluoride (1/1)

Inchi
InChI=1S/C39H41N/c1-37(2,29-16-10-7-11-17-29)32-22-25-34(26-23-32)40-36-27-24-33(38(3,4)30-18-12-8-13-19-30)28-35(36)39(5,6)31-20-14-9-15-21-31/h7-28,40H,1-6H3
InChkey
CNNKURHFWJWJER-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)NC3=C(C=C(C=C3)C(C)(C)C4=CC=CC=C4)C(C)(C)C5=CC=CC=C5
Properties
Vapour
8.65E-15mmHg at 25°C
Refractive Index
1.602
HS Code
2921420090
Computational chemical data
  • Molecular Weight:523.75000g/mol
  • Molecular Formula:C13H24SI2
  • Compound Is Canonicalized:True
  • Exact Mass:523.324
  • Monoisotopic Mass:523.324
  • Complexity:752
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12A^2
  • Heavy Atom Count:40
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADcfB+AAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAAABVAAAHAAQAAAADgiBGAAywILAAACA AiRCQACCAAAhAgAIiAAAZIgIIGLAkZGEIAhgkADIyAcQgMAPiAACAAACAAAQAAQAAAQAAAAAAAAA AA==
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