1-(14-Acetyl-7,13-dimethyl-1,4,8,12-tetrazacyclopentadeca-4,7,12,15-tetraen-6-yl)ethanone;nickel

HCID 425643

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Basic information

CAS: 38402-68-5
Standard SMILES: CC(=O)C1C=NCCN=CC(C(C)=O)C(C)=NCCCN=C1C.[Ni]
InChIKey: BLYOZIQHAHAMBK-UHFFFAOYSA-N
Molecular formula: C17H26N4NiO2
Average molar mass: 377.1 g/mol
Monoisotopic mass: 376.140918

Names & identifiers

Preferred name: 1-(14-Acetyl-7,13-dimethyl-1,4,8,12-tetrazacyclopentadeca-4,7,12,15-tetraen-6-yl)ethanone;nickel
IUPAC: 1-(14-acetyl-7,13-dimethyl-1,4,8,12-tetrazacyclopentadeca-4,7,12,15-tetraen-6-yl)ethanone;nickel

Names & synonyms

38402-68-5NSC175451DTXSID301319237NSC-175451[1,1'-(7,13-Dimethyl-1,4,8,12-tetraazacyclopentadeca-4,7,12,15-tetraene-6,14-diyl-kappa~4~N~1~,N~4~,N~8~,N~12~)di(ethan-1-one)]nickel1,1'-[(1E,12E)-7,13-Dimethyl-1,4,8,12-tetraazacyclopentadeca-4,7,12,15-tetraene-6,14-diyl]diethanone - nickel (1:1)

Database identifiers

CAS: 38402-68-5
PubChem CID: 425643
DTXSID: DTXSID301319237

Properties

Computed structural properties

Topological polar surface area: 83.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 505

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