N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
Basic information
- CAS
573696-56-7- Standard SMILES
CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1- InChIKey
IOZPPSKNFNPUHR-UHFFFAOYSA-N- Molecular formula
- C18H18N4O4S
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.10487624
Names & identifiers
- Preferred name
- N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
- IUPAC
- N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Names & synonyms
573696-56-7N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-{[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDEN-(2,3-Dihydro-1,4-benzodioxin-6-YL)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamideRefChem:823850649-607-8SALOR-INT L366501-1EAN-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamideN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]thio}acetamideSMR000078563CBKinase1_008952CBKinase1_021352MLS000050868
Show more names
MLS002547212N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideCHEMBL1450247SCHEMBL18559303HMS2477E22STL199350AKOS002189449N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Database identifiers
- CAS
573696-56-7- PubChem CID
- 2963440
- ChEMBL
CHEMBL1450247
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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