Compound C17H17N5O4

4-(4-benzylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium

CAS: 61785-84-0

Molecular Formula	`C17H17N5O4`
Molecular Weight	355.3 g/mol
LogP	2.7
Topological Polar Surface Area	104.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	355.12805
Heavy Atoms	26
Complexity	490.0

Chemical Identifiers

CAS Number	61785-84-0
SMILES	`C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-]`
InChIKey	`HXSYYCOFWSTFAE-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H17N5O4 (CAS: 61785-84-0) is a chemical compound with molecular formula C17H17N5O4 and molecular weight 355.3 g/mol. Its IUPAC systematic name is 4-(4-benzylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium. LogP 2.7 Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 3 Exact Mass 355.12805 Heavy Atoms 26 Complexity 490.0 InChI Key: HXSYYCOFWSTFAE-UHFFFAOYSA-N. SMILES: C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-].

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