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Home> Hot Product Listed T   > T5286055
480-76-2 structure

T5286055

CAS No.:480-76-2
Molecular Weight:369.414
Molecular Formula:C25H21CLN2O3 (isomer)
Names and Identifiers
Synonyms

AC1N0M7I MCULE-1695323855 MOLPORT-004-057-991 n-[2-(4-chlorophenyl)ethyl]-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide Z14253898 ZINC9545469

Inchi
InChI=1S/C18H27NO7/c1-10-8-18(24,11(2)20)16(22)26-13-5-7-19-6-4-12(14(13)19)9-25-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1
InChkey
FMWJEBGSMAOQNN-YLFNNMARSA-N
Canonical Smiles
CC1CC(C(=O)OC2CCN3C2C(=CC3)COC(=O)C1(C)O)(C(C)O)O
Properties
Vapour
4.8E-16mmHg at 25°C
Refractive Index
1.59
Computational chemical data
  • Molecular Weight:369.414g/mol
  • Molecular Formula:C25H21CLN2O3
  • Compound Is Canonicalized:True
  • Exact Mass:369.179
  • Monoisotopic Mass:369.179
  • Complexity:635
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:117A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:6
  • 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: AAADceB6OAAAAAAAAAAAAAAAAAAAAWIAAAAAAAAAAAAQAAAAAAAAHgAACAAADXzhgAYCCAMABgCI AiDSCAKAAAAgAAAACAFIAAgDFBYAoQAHUAAH4ACbIAPY7HzOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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