5-[2-(3-Nitrophenylamino)-5-methyl-pyrimidin-4-yl]-4-cyclohexyl-2-methylsulfanyl-thiophene-3-carbonitrile
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
- Formal charge
- 0
- Complexity
- 692
Related reactions
3 records
Compound notes
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