2-{[4-Ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-(2-isopropylphenyl)acetamide
Basic information
- CAS
575462-79-2- Standard SMILES
CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccn1- InChIKey
FUQNUVMIJMOBKE-UHFFFAOYSA-N- Molecular formula
- C20H23N5OS
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.16233155
Names & identifiers
- Preferred name
- 2-{[4-Ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-(2-isopropylphenyl)acetamide
- IUPAC
- 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
- English name
- SALOR-INT L367869-1EA
- Molecular formula
- C20H23N5OS
- Molecular weight
- 381.49
Names & synonyms
575462-79-22-{[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(2-ISOPROPYLPHENYL)ACETAMIDE2-((4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2-ISOPROPYLPHENYL)ACETAMIDERefChem:449135649-283-82-((4-Ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide2-{[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamideSTL293904AKOS002189526ST500809712-(4-ethyl-5-(2-pyridyl)(1,2,4-triazol-3-ylthio))-N-[2-(methylethyl)phenyl]ace tamideSALOR-INT L367869-1EA
Show more names
2-([4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2-ISOPROPYLPHENYL)ACETAMIDEAcetamide, 2-[[4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-[2-(1-methylethyl)phenyl]-
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 477
Physicochemical properties
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 12.85 · 12.85±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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, 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-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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