N-(2,5-Dimethylphenyl)-2-((4-phenyl-5-((4-propylphenoxy)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
Basic information
- CAS
539809-12-6- Standard SMILES
CCCc1ccc(OCc2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-c2ccccc2)cc1- InChIKey
UMNHBNBYYLEDBI-UHFFFAOYSA-N- Molecular formula
- C28H30N4O2S
- Average molar mass
- 486.6 g/mol
- Monoisotopic mass
- 486.20894739
Names & identifiers
- Preferred name
- N-(2,5-Dimethylphenyl)-2-((4-phenyl-5-((4-propylphenoxy)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
- IUPAC
- N-(2,5-dimethylphenyl)-2-[[4-phenyl-5-[(4-propylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
- English name
- SALOR-INT L444367-1EA
- Molecular formula
- C28H30N4O2S
- Molecular weight
- 486.63
Names & synonyms
539809-12-6N-(2,5-dimethylphenyl)-2-({4-phenyl-5-[(4-propylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamideN-(2,5-Dimethylphenyl)-2-((4-phenyl-5-((4-propylphenoxy)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamideRefChem:824091644-681-8N-(2,5-Dimethylphenyl)-2-((4-phenyl-5-((4-propylphenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamideAKOS001748915SALOR-INT L444367-1EAN-(2,5-DIMETHYLPHENYL)-2-((4-PHENYL-5-[(4-PROPYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETAMIDE
Database identifiers
- CAS
539809-12-6- PubChem CID
- 3857925
- EC Number
- 644-681-8
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 638
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H413-H319
- 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
- H335-H315-H413-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…