2-((4-Ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-isopropylphenyl)acetamide
Basic information
- CAS
618427-12-6- Standard SMILES
CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccncc1- InChIKey
MEHVJXWXJZODFL-UHFFFAOYSA-N- Molecular formula
- C20H23N5OS
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.16233155
Names & identifiers
- Preferred name
- 2-((4-Ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-isopropylphenyl)acetamide
- IUPAC
- 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
- English name
- SALOR-INT L411191-1EA
- Molecular formula
- C20H23N5OS
- Molecular weight
- 381.49
Names & synonyms
618427-12-62-{[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(2-ISOPROPYLPHENYL)ACETAMIDE2-((4-Ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-isopropylphenyl)acetamideRefChem:449207643-709-62-((4-Ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamideSTL360230AKOS0004211202-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamideST500811422-(4-ethyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[2-(methylethyl)phenyl]ace tamide
Show more names
SALOR-INT L411191-1EA2-([4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2-ISOPROPYLPHENYL)ACETAMIDEAcetamide, 2-[[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-[2-(1-methylethyl)phenyl]-
2-{[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-N-(2-isopropylphenyl)acetamide
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 12.93 · 12.93±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- 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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…