BRN 5672241

5-[(2-ethylquinazolin-4-yl)oxymethyl]-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione

CAS: 96546-95-1

Molecular Formula	`C24H26N6O2S`
Molecular Weight	462.6 g/mol
LogP	4.8
Topological Polar Surface Area	98.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	462.1838
Heavy Atoms	33
Complexity	694.0

Chemical Identifiers

CAS Number	96546-95-1
SMILES	`CCC1=NC2=CC=CC=C2C(=N1)OCC3=NN(C(=S)O3)CN4CCN(CC4)C5=CC=CC=C5`
InChIKey	`XLJPODLMAPHDQO-UHFFFAOYSA-N`

📖 Product Overview

BRN 5672241 (CAS: 96546-95-1) is a chemical compound with molecular formula C24H26N6O2S and molecular weight 462.6 g/mol. Its IUPAC systematic name is 5-[(2-ethylquinazolin-4-yl)oxymethyl]-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione. LogP 4.8 Topological Polar Surface Area 98.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 462.1838 Heavy Atoms 33 Complexity 694.0 InChI Key: XLJPODLMAPHDQO-UHFFFAOYSA-N. SMILES: CCC1=NC2=CC=CC=C2C(=N1)OCC3=NN(C(=S)O3)CN4CCN(CC4)C5=CC=CC=C5.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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