2-((5-(4-Tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-(diethylamino)phenyl)acetamide
Basic information
- CAS
618432-15-8- Standard SMILES
CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1- InChIKey
LVZXWURYYYFAAX-UHFFFAOYSA-N- Molecular formula
- C31H37N5O2S
- Average molar mass
- 543.7 g/mol
- Monoisotopic mass
- 543.26679661
Names & identifiers
- Preferred name
- 2-((5-(4-Tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-(diethylamino)phenyl)acetamide
- IUPAC
- 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(diethylamino)phenyl]acetamide
- English name
- SALOR-INT L416584-1EA
- Molecular formula
- C31H37N5O2S
- Molecular weight
- 543.72
Names & synonyms
618432-15-82-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(diethylamino)phenyl]acetamide2-((5-(4-Tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-(diethylamino)phenyl)acetamideRefChem:449565638-433-82-((5-(4-(tert-Butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamideAKOS002192354ST50085550N-[4-(diethylamino)phenyl]-2-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2 ,4-triazol-3-ylthio)}acetamideSALOR-INT L416584-1EA2-([5-(4-TERT-BUTYLPHENYL)-4-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-[4-(DIETHYLAMINO)PHENYL]ACETAMIDE
Database identifiers
- CAS
618432-15-8- PubChem CID
- 3554449
- EC Number
- 638-433-8
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 736
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H335-H319-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, 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
- H413-H335-H319-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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