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Home> Hot Product Listed 6   > (6s)-4,6,7,8-tetrahydro-n-[4-[[(2s,5r)-5-[(r)-hydroxyphenylmethyl]-2-pyrrolidinyl]methyl]phenyl]-4-o...
57669-54-2 structure

(6s)-4,6,7,8-tetrahydro-n-[4-[[(2s,5r)-5-[(r)-hydroxyphenylmethyl]-2-pyrrolidinyl]methyl]phenyl]-4-oxo-pyrrolo[1,2-a]pyrimidine-6-carboxamide

Iupac Name:2-sulfanylidene-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CAS No.:57669-54-2
Molecular Weight:277.279
Molecular Formula:C15H19NO4 (isomer)
Names and Identifiers
Synonyms

(6S)-4,6,7,8-Tetrahydro-N-[4-[[(2S,5R)-5-[(R)-hydroxyphenylmethyl]-2-pyrrolidinyl]methyl]phenyl]-4-oxopyrrolo[1,2-a]pyrimidine-6-carboxamide (6s)-n-(4-(((2s,5r)-5-((r)-hydroxyphenylmethyl)pyrrolidin-2-yl)methyl)phenyl)-4-oxo-4,6,7,8-tetrahydropyrrolo(1,2-a)pyrimidine-6-carboxamide bdbm50146154 CHEMBL2107826 D10433 krp-114v m5tse03w5u mk 4618 mk-4618 pyrrolo(1,2-a)pyrimidine-6-carboxamide, 4,6,7,8-tetrahydro-n-(4-(((2s,5r)-5-((r)-hydroxyphenylmethyl)-2-pyrrolidinyl)methyl)phenyl)-4-oxo-, (6s)- SCHEMBL11985457 unii-m5tse03w5u vibegron vibegron (jan/usan) vibegron [usan:inn]

Inchi
InChI=1S/C10H6F3NOS2/c11-10(12,13)6-1-3-7(4-2-6)14-8(15)5-17-9(14)16/h1-4H,5H2
InChkey
AJEXEUDSGYIZHZ-UHFFFAOYSA-N
Canonical Smiles
C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)C(F)(F)F
Properties
Refractive Index
1.633
Computational chemical data
  • Molecular Weight:277.279g/mol
  • Molecular Formula:C15H19NO4
  • Compound Is Canonicalized:True
  • Exact Mass:276.984
  • Monoisotopic Mass:276.984
  • Complexity:337
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:77.7A^2
  • Heavy Atom Count:17
  • 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: AAADcYByIYBgAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHwQAAAAADAiF2BCwwIMAAAiM AiVSUACCAABhAhgIiAAAZIgIICLAkZGEIAhghADIyAcQgAAOCAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==
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