2-((3-Iodo-1H-indazol-6-yl)thio)-N-methylbenzamide

C₁₅H₁₂IN₃OSCAS 885126-34-1409.25 g/mol

Open in Covalent MOL file

Amide Aryl halide Sulfide

Properties

Molecular formula: C₁₅H₁₂IN₃OS
Molar mass: 409.25 g/mol
Exact mass: 408.9746 Da
logP: 3.68Crippen estimate
Polar surface area: 57.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

885126-34-1

SMILES

CNC(=O)C1=CC=CC=C1SC2=CC3=NNC(=C3C=C2)I

InChIKey

VHZLHFNNNDGPLF-UHFFFAOYSA-N

InChI

InChI=1S/C15H12IN3OS/c1-17-15(20)11-4-2-3-5-13(11)21-9-6-7-10-12(8-9)18-19-14(10)16/h2-8H,1H3,(H,17,20)(H,18,19)

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Names and synonyms

1 names

Benzamide, 2-[(3-iodo-1H-indazol-6-yl)thio]-N-methyl-

Work with 2-((3-Iodo-1H-indazol-6-yl)thio)-N-methylbenzamide

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

Axitinib319460-85-041 % similar 1H-Indazole-6-carboxylic acid,3-iodo-,methyl ester885518-82-141 % similar 3-Iodo-1H-indazole66607-27-038 % similar N-Methyl-2-sulfanylbenzamide20054-45-938 % similar 3-Iodo-6-nitroindazole70315-70-736 % similar 2-Amino-N-methylbenzamide4141-08-635 % similar

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

Elsewhere

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