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Home> Hot Product Listed F   > F2260-0028
20887-01-8 structure

F2260-0028

Iupac Name:2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CAS No.:20887-01-8
Molecular Weight:305.396
Molecular Formula:C23H35BRN4O2 (isomer)
Names and Identifiers
Synonyms

4-(pyrrolidin-1-ylsulfonyl)-n-(5-(tetrahydrofuran-2-yl)-1,3,4-oxadiazol-2-yl)benzamide AKOS024632518 MCULE-8109449015 MOLPORT-003-111-794

Inchi
InChI=1S/C15H19N3O2S/c19-14-13-10-3-1-2-4-11(10)21-15(13)17-12(16-14)9-18-5-7-20-8-6-18/h1-9H2,(H,16,17,19)
InChkey
JYDWJEICQVGGIR-UHFFFAOYSA-N
Canonical Smiles
C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CN4CCOCC4
Properties
Refractive Index
1.758
Computational chemical data
  • Molecular Weight:305.396g/mol
  • Molecular Formula:C23H35BRN4O2
  • Compound Is Canonicalized:True
  • Exact Mass:305.12
  • Monoisotopic Mass:305.12
  • Complexity:450
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:82.2A^2
  • Heavy Atom Count:21
  • 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: AAADceBzMABAAAAAAAAAAAAAAAAAASAAAAA8QIAAAAAAAEgBgAAAHgQQAAAADADh2AYBgYPABAis AgNwdACDAIFkCBABiBEYRMgKYDqg3JGXAYhglAC4yUcYiMCOgAAAAAAAAAAAAAAAAAgAAAAAAAAA AA==
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