2-({5-[3-(morpholine-4-sulfonyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide

HCID 3516396

Notes Reactions

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Basic information

CAS: 523983-93-9
Standard SMILES: CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2-c2ccc(OC(F)(F)F)cc2)cc1
InChIKey: UENHMSTYHNSINA-UHFFFAOYSA-N
Molecular formula: C30H30F3N5O5S2
Average molar mass: 661.7 g/mol
Monoisotopic mass: 661.16404591

Names & identifiers

Preferred name: 2-({5-[3-(morpholine-4-sulfonyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
IUPAC: 2-[[5-(3-morpholin-4-ylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide

Names & synonyms

523983-93-92-({5-[3-(morpholine-4-sulfonyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide2-((5-(3-(morpholine-4-sulfonyl)phenyl)-4-(4-(trifluoromethoxy)phenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)-N-(4-(propan-2-yl)phenyl)acetamide2-((5-[3-(MORPHOLINE-4-SULFONYL)PHENYL]-4-[4-(TRIFLUOROMETHOXY)PHENYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-[4-(PROPAN-2-YL)PHENYL]ACETAMIDERefChem:449427821-060-1T0510-3657orb1740327GLXC-26520AKOS001054878CS-0236282G47167

Show more names

T69153EN300-1700476Z18661623T0510.3657N-(4-Isopropylphenyl)-2-((5-(3-(morpholinosulfonyl)phenyl)-4-(4-(trifluoromethoxy)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide

Database identifiers

CAS: 523983-93-9
PubChem CID: 3516396

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 149 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 12
Rotatable bonds: 10
Heavy atoms: 45
Formal charge: 0
Complexity: 1,060

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 · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Related reactions

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Compound notes

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