5-[2-(3-Nitrophenylamino)-5-methyl-pyrimidin-4-yl]-4-cyclohexyl-2-methylsulfanyl-thiophene-3-carbonitrile

HCID 22019028
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Basic information

Standard SMILES
CSc1sc(-c2nc(Nc3cccc([N+](=O)[O-])c3)ncc2C)c(C2CCCCC2)c1C#N
InChIKey
RMGCRAUVESXGGU-UHFFFAOYSA-N
Molecular formula
C23H23N5O2S2
Average molar mass
465.6 g/mol

Names & identifiers

Preferred name
5-[2-(3-Nitrophenylamino)-5-methyl-pyrimidin-4-yl]-4-cyclohexyl-2-methylsulfanyl-thiophene-3-carbonitrile
IUPAC
4-cyclohexyl-5-[5-methyl-2-(3-nitroanilino)pyrimidin-4-yl]-2-methylsulfanylthiophene-3-carbonitrile

Names & synonyms

SCHEMBL5756355RMGCRAUVESXGGU-UHFFFAOYSA-N5-[2-(3-Nitrophenylamino)-5-methyl-pyrimidin-4-yl]-4-cyclohexyl-2-methylsulfanyl-thiophene-3-carbonitrile

Database identifiers

PubChem CID
22019028

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
161 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
32

Related reactions

3 records
New reaction record

Linked notes

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