2-((4-Amino-5-(4-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-phenoxyphenyl)acetamide
Basic information
- CAS
573695-15-5- Standard SMILES
Nn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccc(Cl)cc1- InChIKey
HEKUXQFNPLXUAD-UHFFFAOYSA-N- Molecular formula
- C22H18ClN5O2S
- Average molar mass
- 451.9 g/mol
- Monoisotopic mass
- 451.0869737
Names & identifiers
- Preferred name
- 2-((4-Amino-5-(4-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-phenoxyphenyl)acetamide
- IUPAC
- 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
- English name
- SALOR-INT L467405-1EA
- Molecular formula
- C22H18ClN5O2S
- Molecular weight
- 451.93
Names & synonyms
573695-15-5RefChem:4488442-((4-Amino-5-(4-CL-PH)-4H-1,2,4-triazol-3-YL)thio)-N-(4-phenoxyphenyl)acetamide656-979-52-((4-Amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-phenoxyphenyl)acetamide2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamideSTL340201AKOS001055224ST50083168Z139077522-[4-amino-5-(4-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-phenoxyphenyl)acet amideSALOR-INT L467405-1EA
Show more names
Acetamide, 2-[[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)-
Database identifiers
- CAS
573695-15-5- PubChem CID
- 1978222
- EC Number
- 656-979-5
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 566
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H413-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H413-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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