2-((4-(4-Ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
Basic information
- CAS
477330-65-7- Standard SMILES
CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3OC)nnc2-c2cccnc2)cc1- InChIKey
GSRMMLMTKRNSLB-UHFFFAOYSA-N- Molecular formula
- C25H25N5O3S
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.16781085
Names & identifiers
- Preferred name
- 2-((4-(4-Ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide
- IUPAC
- 2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
- English name
- SALOR-INT L244201-1EA
- Molecular formula
- C25H25N5O3S
- Molecular weight
- 475.56
Names & synonyms
477330-65-72-{[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide2-((4-(4-Ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamideRefChem:448571650-518-12-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxy-5-methylphenyl)acetamideSTK009521AKOS0021744162-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamideST500608022-[4-(4-ethoxyphenyl)-5-(3-pyridyl)(1,2,4-triazol-3-ylthio)]-N-(2-methoxy-5-me thylphenyl)acetamideSALOR-INT L244201-1EA
Show more names
Acetamide, 2-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methylphenyl)-2-([4-(4-ETHOXYPHENYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2-METHOXY-5-METHYLPHENYL)ACETAMIDE
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 636
Physicochemical properties
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 12.23 · 12.23±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H413
- 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
- H319-H315-H335-H413
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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