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Home> Hot Product Listed S   > STL050748
1208839-57-9 structure

STL050748

Iupac Name:1,3-benzothiazol-2-yl-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CAS No.:1208839-57-9
Molecular Weight:354.428
Molecular Formula:C18H22N2O3S (isomer)
Names and Identifiers
Synonyms

(1's,2's,3r,3'ar)-2'-(4-chlorobenzoyl)-5'-methyl-1'-(4-nitrobenzoyl)-2',3'a-dihydro-1h,1'h-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2-one (1's,2's,3r,3a'r)-2'-[(4-chlorophenyl)carbonyl]-5'-methyl-1'-[(4-nitrophenyl)carbonyl]-1',2'-dihydro-3a'h-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1h)-one AKOS005703603 BG00880966 c34h24cln3o5 MCULE-1357799147 MOLPORT-009-649-447 STOCK7S-03017 ZINC101670481

Inchi
InChI=1S/C18H18N4O2S/c23-18(17-19-13-3-1-2-4-14(13)25-17)22-9-7-12(8-10-22)16-21-20-15(24-16)11-5-6-11/h1-4,11-12H,5-10H2
InChkey
GCRUTZQURUSCOX-UHFFFAOYSA-N
Canonical Smiles
C1CC1C2=NN=C(O2)C3CCN(CC3)C(=O)C4=NC5=CC=CC=C5S4
Computational chemical data
  • Molecular Weight:354.428g/mol
  • Molecular Formula:C18H22N2O3S
  • Compound Is Canonicalized:True
  • Exact Mass:354.115
  • Monoisotopic Mass:354.115
  • Complexity:509
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:100A^2
  • Heavy Atom Count:25
  • 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: AAADceB7sABAAAAAAAAAAAAAGAAAAWLAAAA8QAAAAAAAAFgB/AAAHgQIAAAADQjB1gQwwbMIFEiu ASVyVACT8KBrCjhamD24ZJgIYLLgkbGeIAhkjgDoyAc0AAAKAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
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