Basic information
- CAS
477318-62-0- Standard SMILES
COc1cc2c(cc1NC(=O)CSc1nnc(-c3ccncc3)n1-c1ccc(C)cc1)oc1ccccc12- InChIKey
HSIATCKHRSBUIM-UHFFFAOYSA-N- Molecular formula
- C29H23N5O3S
- Average molar mass
- 521.6 g/mol
- Monoisotopic mass
- 521.15216079
Names & identifiers
- Preferred name
- N-(2-Methoxydibenzo(B,D)furan-3-YL)-2-((4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
- IUPAC
- N-(2-methoxydibenzofuran-3-yl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
- English name
- SALOR-INT L227684-1EA
- Molecular formula
- C29H23N5O3S
- Molecular weight
- 521.59
Names & synonyms
477318-62-0N-(2-METHOXYDIBENZO[B,D]FURAN-3-YL)-2-{[4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDEN-(2-Methoxydibenzo(B,D)furan-3-YL)-2-((4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamideRefChem:825538647-995-3N-(2-Methoxydibenzo[b,d]furan-3-yl)-2-((5-(pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamideSTK844832AKOS002177833N-(2-methoxydibenzofuran-3-yl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamideST50063038N-(2-methoxybenzo[3,4-b]benzo[d]furan-3-yl)-2-[4-(4-methylphenyl)-5-(4-pyridyl )(1,2,4-triazol-3-ylthio)]acetamideN-(2-methoxydibenzo[b,d]furan-3-yl)-2-{[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
Show more names
SALOR-INT L227684-1EAAcetamide, N-(2-methoxy-3-dibenzofuranyl)-2-[[4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-METHOXYDIBENZO[B,D]FURAN-3-YL)-2-([4-(4-METHYLPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 792
Physicochemical properties
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 12.59 · 12.59±0.43(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- 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, 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-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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