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Home> Hot Product Listed T   > T6672470
1210151-37-3 structure

T6672470

Iupac Name:N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1,3-benzothiazole-2-carboxamide
CAS No.:1210151-37-3
Molecular Weight:332.418
Molecular Formula:C21H21N5O4S (isomer)
Names and Identifiers
Synonyms

MCULE-8186871449 MOLPORT-009-082-726 n-[3-(4-oxo-4-phenylbutanamido)phenyl]benzamide Z655746556 ZINC48363819

Inchi
InChI=1S/C17H20N2O3S/c20-15(16-19-13-6-2-3-7-14(13)23-16)18-10-12-11-21-17(22-12)8-4-1-5-9-17/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,20)
InChkey
SRNDAXYVMGHSOL-UHFFFAOYSA-N
Canonical Smiles
C1CCC2(CC1)OCC(O2)CNC(=O)C3=NC4=CC=CC=C4S3
Computational chemical data
  • Molecular Weight:332.418g/mol
  • Molecular Formula:C21H21N5O4S
  • Compound Is Canonicalized:True
  • Exact Mass:332.119
  • Monoisotopic Mass:332.119
  • Complexity:442
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:88.7A^2
  • Heavy Atom Count:23
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MABAAAAAAAAAAAAAAAAAAWJAAAAwYAAAAAAAAFgB8AAAHgQQAAAACBzh1gYwybLIFAis ASVyVACD8KBjCjhImLy4ZJgbYKLgkbG3IAhmlgD+yAeQQAAAAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
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