2-({4-Benzyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazol-3-YL}sulfanyl)-N-(1-naphthyl)acetamide
Basic information
- CAS
538337-12-1- Standard SMILES
O=C(CSc1nnc(COc2ccc(Br)cc2)n1Cc1ccccc1)Nc1cccc2ccccc12- InChIKey
XEMURXGXXDVTBX-UHFFFAOYSA-N- Molecular formula
- C28H23BrN4O2S
- Average molar mass
- 559.5 g/mol
- Monoisotopic mass
- 558.07251
Names & identifiers
- Preferred name
- 2-({4-Benzyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazol-3-YL}sulfanyl)-N-(1-naphthyl)acetamide
- IUPAC
- 2-[[4-benzyl-5-[(4-bromophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
Names & synonyms
538337-12-12-({4-BENZYL-5-[(4-BROMOPHENOXY)METHYL]-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-N-(1-NAPHTHYL)ACETAMIDE2-((4-BENZYL-5-((4-BROMOPHENOXY)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(1-NAPHTHYL)ACETAMIDERefChem:448880644-833-32-((4-Benzyl-5-((4-bromophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamideAKOS002238325ST501133302-{5-[(4-bromophenoxy)methyl]-4-benzyl(1,2,4-triazol-3-ylthio)}-N-naphthylacet amide
Database identifiers
- CAS
538337-12-1- PubChem CID
- 3685227
- EC Number
- 644-833-3
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 688
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%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…