Basic information
- CAS
332907-37-6- Standard SMILES
COc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1- InChIKey
ZUMYTTOLENTFNQ-UHFFFAOYSA-N- Molecular formula
- C24H22N4O2S
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.14634713
Names & identifiers
- Preferred name
- 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamide
- IUPAC
- 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
- English name
- SALOR-INT L124028-1EA
- Molecular formula
- C24H22N4O2S
- Molecular weight
- 430.52
Names & synonyms
332907-37-62-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxyphenyl)acetamideAKOS000580347ST50254257AG-690/406964722-(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamideN-(2-methoxyphenyl)-2-[4-phenyl-5-benzyl(1,2,4-triazol-3-ylthio)]acetamideN-[2-(methyloxy)phenyl]-2-{[4-phenyl-5-(phenylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideSALOR-INT L124028-1EAAcetamide, N-(2-methoxyphenyl)-2-[[4-phenyl-5-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]-
Database identifiers
- CAS
332907-37-6- PubChem CID
- 978975
- EC Number
- 121-229-3
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 554
Physicochemical properties
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 12.35 · 12.35±0.70(Predicted)
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%)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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