2-({4-butyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-butylphenyl)acetamide
Basic information
- CAS
720667-82-3- Standard SMILES
CCCCc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2CCCC)cc1- InChIKey
ANTJXSWZXNVSND-UHFFFAOYSA-N- Molecular formula
- C25H31ClN4O2S
- Average molar mass
- 487.1 g/mol
- Monoisotopic mass
- 486.1856251
Names & identifiers
- Preferred name
- 2-({4-butyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-butylphenyl)acetamide
- IUPAC
- 2-[[4-butyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide
- English name
- 2-((4-Butyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl)sulfanyl)-N-(4-butylphenyl)acetamide
- Molecular formula
- C25H31ClN4O2S
- Molecular weight
- 487.06
Names & synonyms
2-({4-butyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-butylphenyl)acetamide720667-82-32-[[4-butyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamideAKOS005109014JS-2758ST0558432-((4-Butyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide2-{4-butyl-5-[(4-chlorophenoxy)methyl](1,2,4-triazol-3-ylthio)}-N-(4-butylphen yl)acetamideSALOR-INT L321737-1EAAcetamide, 2-[[4-butyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl]thio]-N-(4-butylphenyl)-2-((4-Butyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl)sulfanyl)-N-(4-butylphenyl)acetamide
Database identifiers
- CAS
720667-82-3- PubChem CID
- 3597989
- EC Number
- 132-659-6
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 557
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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