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Home> Hot Product Listed E   > EU-0087196
1293389-31-7 structure

EU-0087196

Iupac Name:4,7-bis[5-bromo-4-(2-ethylhexyl)thiophen-2-yl]-5,6-difluoro-2,1,3-benzothiadiazole
CAS No.:1293389-31-7
Molecular Weight:718.62000
Molecular Formula:C18H19N3O5S (isomer)
Names and Identifiers
Synonyms

AC1MT1EN AKOS024582719 AMB22646133 F0550-0069 MCULE-3527022907 MOLPORT-003-024-526 n-(2-nitrophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide n-(2-nitrophenyl)-5-oxo-3,5-dihydro-2h-thiazolo[3,2-a]pyrimidine-6-carboxamide ZINC4089017

Inchi
InChI=1S/C30H36Br2F2N2S3/c1-5-9-11-17(7-3)13-19-15-21(37-29(19)31)23-25(33)26(34)24(28-27(23)35-39-36-28)22-16-20(30(32)38-22)14-18(8-4)12-10-6-2/h15-18H,5-14H2,1-4H3
InChkey
FOYFULWMSKDEJJ-UHFFFAOYSA-N
Canonical Smiles
CCCCC(CC)CC1=C(SC(=C1)C2=C(C(=C(C3=NSN=C23)C4=CC(=C(S4)Br)CC(CC)CCCC)F)F)Br
Computational chemical data
  • Molecular Weight:718.62000g/mol
  • Molecular Formula:C18H19N3O5S
  • Compound Is Canonicalized:True
  • Exact Mass:718.035
  • Monoisotopic Mass:716.038
  • Complexity:684
  • Rotatable Bond Count:14
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:111A^2
  • Heavy Atom Count:39
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB7AYBgGAAAAAAAAAAAAAAAAWJEgAAwAAAAAAAAAFgB/gAAHQRAQAABLQiBXggywbAAAAik AyRiQACDAIQgGBRAmDggVLgIYCKgkZGAIABggAAoyhcQgMAOQAAAQAACACCAAACAAAQAQAAAAAAA AA==
 
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