2-(2-Methyl-4-nitrophenylimino)-1-(2-(1,3-dioxan-2-yl)ethyl)-3-thia-1-azaspiro[4.4]nonane

HCID 18316176
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Basic information

Standard SMILES
Cc1cc([N+](=O)[O-])ccc1N=C1SCC2(CCCC2)N1CCC1OCCCO1
InChIKey
NMFLBBLQALSRFZ-UHFFFAOYSA-N
Molecular formula
C20H27N3O4S
Average molar mass
405.5 g/mol

Names & identifiers

Preferred name
2-(2-Methyl-4-nitrophenylimino)-1-(2-(1,3-dioxan-2-yl)ethyl)-3-thia-1-azaspiro[4.4]nonane
IUPAC
1-[2-(1,3-dioxan-2-yl)ethyl]-N-(2-methyl-4-nitrophenyl)-3-thia-1-azaspiro[4.4]nonan-2-imine

Names & synonyms

SCHEMBL7119876SCHEMBL7119879NMFLBBLQALSRFZ-UHFFFAOYSA-N2-(2-methyl-4-nitrophenylimino)-1-(2-(1,3-dioxan-2-yl)ethyl)-3-thia-1-azaspiro[4.4]nonane

Database identifiers

PubChem CID
18316176

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
105 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
28

Related reactions

2 records
New reaction record

Linked notes

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