(5Z)-5-{[3-(4-Ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-YL]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-B][1,2,4]triazol-6(5H)-one
Basic information
- CAS
623935-23-9- Standard SMILES
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(OC)cc4)nn3c2=O)cc1C- InChIKey
VXOHIECWSGXHLC-ONUIUJJFSA-N- Molecular formula
- C30H25N5O3S
- Average molar mass
- 535.6 g/mol
- Monoisotopic mass
- 535.16781085
Names & identifiers
- Preferred name
- (5Z)-5-{[3-(4-Ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-YL]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-B][1,2,4]triazol-6(5H)-one
- IUPAC
- (5Z)-5-[[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Names & synonyms
623935-23-9(5Z)-5-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one(5Z)-5-((3-(4-ETHOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-2-(4-METHOXYPHENYL)(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-6(5H)-ONERefChem:404766647-046-35-((3-(4-Ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-(4-methoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-oneSTK813044AKOS002193127(5Z)-5-{[3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Database identifiers
- CAS
623935-23-9- PubChem CID
- 6533535
- EC Number
- 647-046-3
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 877
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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