1,3-Bibromo-5-(2-ethylhexyl)-4H-thieno[3,4-C]pyrrole-4,6(5H)-dione

C₁₄H₁₇Br₂NO₂SCAS 1231160-83-0423.16 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₁₄H₁₇Br₂NO₂S
Molar mass: 423.16 g/mol
Exact mass: 420.9347 Da
logP: 5.09Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

Identifiers

CAS number

1231160-83-0

SMILES

CCCCC(CC)CN1C(=O)C2=C(SC(=C2C1=O)Br)Br

InChIKey

AOZLCBYWDXFKCJ-UHFFFAOYSA-N

InChI

InChI=1S/C14H17Br2NO2S/c1-3-5-6-8(4-2)7-17-13(18)9-10(14(17)19)12(16)20-11(9)15/h8H,3-7H2,1-2H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1,3-Dibromo-5-(2-ethylhexyl)-4H-thieno(3,4-c)pyrrole-4,6(5H)-dione

Work with 1,3-Bibromo-5-(2-ethylhexyl)-4H-thieno[3,4-C]pyrrole-4,6(5H)-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,6-Bis(5-bromo-2-thienyl)-2,5-bis(2-ethylhexyl)-2,5-dihydropyrrolo[3,4-C]pyrrole-1,4-dione1000623-95-950 % similar N-Octyl bicycloheptene dicarboximide113-48-445 % similar Tris(2-ethylhexyl)amine1860-26-044 % similar 2,5-Bis(2-ethylhexyl)-3-(5-bromo-thiophene-2-yl)-6-(thiophene-2-yl)-pyrrolo[3,4-C]pyrrole-1,4-dione1308671-90-044 % similar 2-Ethylhexyl acetate103-09-340 % similar Diisooctyl 1,2-cyclohexanedicarboxylate84-71-939 % similar 2-Ethylhexyl peroxydicarbonate16111-62-938 % similar 4-Ethyloctanoic acid16493-80-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Dibromo-5-octyl-4H-thieno[3,4-C]pyrrole-4,6(5H)-dione566939-58-0

Elsewhere

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