Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester

C₃₂H₄₈ClN₅O₃CAS 152827-98-0586.22 g/mol

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Amide Aryl halide Ester

Properties

Molecular formula: C₃₂H₄₈ClN₅O₃
Molar mass: 586.22 g/mol
Exact mass: 585.3446 Da
logP: 8.64Crippen estimate
Polar surface area: 101.4 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 18

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

152827-98-0

SMILES

CCCCCCCCCCCCCCOC(=O)CCC(=O)Nc1ccc(-c2nc3c(Cl)c(C(C)(C)C)nn3[nH]2)cc1

InChIKey

NDBITMMNYHLKCV-UHFFFAOYSA-N

InChI

InChI=1S/C32H48ClN5O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-41-27(40)22-21-26(39)34-25-19-17-24(18-20-25)30-35-31-28(33)29(32(2,3)4)36-38(31)37-30/h17-20H,5-16,21-23H2,1-4H3,(H,34,39)(H,35,37)

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Names and synonyms

2 names

Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-1H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester
1H-Pyrazolo[1,5-b][1,2,4]triazole, butanoic acid deriv.

Work with Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester

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Similar compounds

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

Elsewhere

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