Basic information
- Standard SMILES
CCCCSc1nccc(-n2cc(C(N)=O)c3ccccc32)n1- InChIKey
LSPQLEDMGPTINZ-UHFFFAOYSA-N- Molecular formula
- C17H18N4OS
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.12013238
Names & identifiers
- Preferred name
- 1-(2-butylsulfanyl-pyrimidin-4-yl)-1H-indole-3-carboxylic acid amide
- IUPAC
- 1-(2-butylsulfanylpyrimidin-4-yl)indole-3-carboxamide
Names & synonyms
SCHEMBL5093773LSPQLEDMGPTINZ-UHFFFAOYSA-N1-(2-butylsulfanyl-pyrimidin-4-yl)-1H-indole-3-carboxylic acid amide
Database identifiers
- PubChem CID
- 69308449
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Related reactions
1 records
Compound notes
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