2-(2-methyl-4-nitrophenylimino)-1-(tetrahydro-2H-pyran-2-ylmethyl)-3-thia-1-azaspiro[4.4]nonane

HCID 18316249

Notes Reactions

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Basic information

Standard SMILES: Cc1cc([N+](=O)[O-])ccc1N=C1SCC2(CCCC2)N1CC1CCCCO1
InChIKey: GLXNNGSJECHAIM-UHFFFAOYSA-N
Molecular formula: C20H27N3O3S
Average molar mass: 389.5 g/mol

Names & identifiers

Preferred name: 2-(2-methyl-4-nitrophenylimino)-1-(tetrahydro-2H-pyran-2-ylmethyl)-3-thia-1-azaspiro[4.4]nonane
IUPAC: N-(2-methyl-4-nitrophenyl)-1-(oxan-2-ylmethyl)-3-thia-1-azaspiro[4.4]nonan-2-imine

Names & synonyms

SCHEMBL7121688SCHEMBL7121692GLXNNGSJECHAIM-UHFFFAOYSA-N2-(2-methyl-4-nitrophenylimino)-1-(tetrahydro-2H-pyran-2-ylmethyl)-3-thia-1-azaspiro[4.4]nonane

Database identifiers

PubChem CID: 18316249

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 96 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 573

Related reactions

2 records

New reaction record

HRID 96438As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 276601As productuspto-grants-2002_03

Compound notes

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