Ehtyl 6-amino-4-[p-N,N-diethylsulfamylphenethylamino]-5-nitroso-pyridin-2-carbamate

HCID 267804

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Basic information

CAS: 19270-37-2
Standard SMILES: CCOC(=O)Nc1cc(NCCc2ccc(S(=O)(=O)N(CC)CC)cc2)c([N+](=O)[O-])c(N)n1
InChIKey: QXSGSSSNFYBSOQ-UHFFFAOYSA-N
Molecular formula: C20H28N6O6S
Average molar mass: 480.5 g/mol
Monoisotopic mass: 480.17910381

Names & identifiers

Preferred name: Ehtyl 6-amino-4-[p-N,N-diethylsulfamylphenethylamino]-5-nitroso-pyridin-2-carbamate
IUPAC: ethyl N-[6-amino-4-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]-5-nitro-2-pyridinyl]carbamate

Names & synonyms

19270-37-2NSC107501SCHEMBL13342744DTXSID90940941QXSGSSSNFYBSOQ-UHFFFAOYSA-NNSC-107501Ehtyl 6-amino-4-[p-N,N-diethylsulfamylphenethylamino]-5-nitroso-pyridin-2-carbamateEthyl 6-amino-4-[(2-(4-[(diethylamino)sulfonyl]phenyl)ethyl)amino]-5-nitro-2-pyridinylcarbamate #Ethyl hydrogen [6-amino-4-({2-[4-(diethylsulfamoyl)phenyl]ethyl}amino)-5-nitropyridin-2-yl]carbonimidate

Database identifiers

CAS: 19270-37-2
PubChem CID: 267804
DTXSID: DTXSID90940941

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 181 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 10
Rotatable bonds: 11
Heavy atoms: 33
Formal charge: 0
Complexity: 730

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