n-(3-Nitrophenyl)-4-(2-{[(3-nitrophenyl)carbamoyl]amino}ethyl)piperazine-1-carboxamide

HCID 244124

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Basic information

CAS: 7154-95-2
Standard SMILES: O=C(NCCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)Nc1cccc([N+](=O)[O-])c1
InChIKey: FRRZCXOOBLVXBT-UHFFFAOYSA-N
Molecular formula: C20H23N7O6
Average molar mass: 457.4 g/mol
Monoisotopic mass: 457.17098148

Names & identifiers

Preferred name: n-(3-Nitrophenyl)-4-(2-{[(3-nitrophenyl)carbamoyl]amino}ethyl)piperazine-1-carboxamide
IUPAC: N-(3-nitrophenyl)-4-[2-[(3-nitrophenyl)carbamoylamino]ethyl]piperazine-1-carboxamide

Names & synonyms

7154-95-2NSC54700n-(3-nitrophenyl)-4-(2-{[(3-nitrophenyl)carbamoyl]amino}ethyl)piperazine-1-carboxamideN-(3-nitrophenyl)-4-[2-[(3-nitrophenyl)carbamoylamino]ethyl]piperazine-1-carboxamideDTXSID40288204NSC-54700

Database identifiers

CAS: 7154-95-2
PubChem CID: 244124
DTXSID: DTXSID40288204

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 168 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 33
Formal charge: 0
Complexity: 704

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