2-{[4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-(2-isopropylphenyl)acetamide
Basic information
- CAS
476484-51-2- Standard SMILES
COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2-c2ccc(Cl)cc2)cc1- InChIKey
XNGFOUMNUYLEAS-UHFFFAOYSA-N- Molecular formula
- C26H25ClN4O2S
- Average molar mass
- 493 g/mol
- Monoisotopic mass
- 492.1386749
Names & identifiers
- Preferred name
- 2-{[4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-(2-isopropylphenyl)acetamide
- IUPAC
- 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
Names & synonyms
476484-51-22-{[4-(4-CHLOROPHENYL)-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(2-ISOPROPYLPHENYL)ACETAMIDE2-((4-(4-CHLOROPHENYL)-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2-ISOPROPYLPHENYL)ACETAMIDERefChem:448542648-759-22-((4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamideSTK023996AKOS0021747152-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamideST500602272-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-[2-(methy lethyl)phenyl]acetamide
Database identifiers
- CAS
476484-51-2- PubChem CID
- 4680237
- EC Number
- 648-759-2
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 640
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%)
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Compound notes
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