AC1MLW8P structure

AC1MLW8P

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide

Also Known As: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-(4-(4-nitrophenyl)piperazin-1-yl)-4-oxobutanamide|N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide|N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butanamide|N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide

CAS: 713091-28-2
Molecular Formula C20H26N6O4S
Molecular Weight 446.1736 g/mol
LogP 2.7123
Topological Polar Surface Area 121.57 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
Rotatable Bonds 8
Exact Mass 446.1736
Monoisotopic Mass 446.1736
Heavy Atoms 31
Complexity 922.0062

Chemical Identifiers

CAS Number 713091-28-2
SMILES CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Product Overview

AC1MLW8P (CAS 713091-28-2), with molecular formula C20H26N6O4S and molecular weight 446.1736 g/mol. IUPAC: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide.

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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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