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2-({4-ethyl-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

HCID 178934051
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
723292-38-4
Standard SMILES
CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ncc(C)s1
InChIKey
VMZKXZQFECJGKK-UHFFFAOYSA-N
Molecular formula
C21H27N5O2S2
Average molar mass
445.6 g/mol

Names & identifiers

Preferred name
2-({4-ethyl-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
IUPAC
2-[[4-ethyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
English name
2-({4-ethyl-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
Molecular formula
C21H27N5O2S2
Molecular weight
445.60138

Names & synonyms

2-({4-ethyl-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide2-[[4-ethyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamideAN-698/41760195

Database identifiers

CAS
723292-38-4

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
135 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
30
Formal charge
0
Complexity
555

Chemistry & industry

Suppliers1 total

SPECS[email protected]

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