Basic information
- Standard SMILES
CCCSc1nccc(-n2ccc3c(OCC4CCS(=O)(=O)C4)cccc32)n1- InChIKey
LKBDXNXCFMZPKS-UHFFFAOYSA-N- Molecular formula
- C20H23N3O3S2
- Average molar mass
- 417.5 g/mol
Names & identifiers
- Preferred name
- 4-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ylmethoxy)-1-(2-propylsulfanyl-pyrimidin-4-yl)-1H-indole
- IUPAC
- 3-[[1-(2-propylsulfanylpyrimidin-4-yl)indol-4-yl]oxymethyl]thiolane 1,1-dioxide
Names & synonyms
SCHEMBL15457492LKBDXNXCFMZPKS-UHFFFAOYSA-N4-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ylmethoxy)-1-(2-propylsulfanyl-pyrimidin-4-yl)-1H-indole
Database identifiers
- PubChem CID
- 58542165
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 612
Related reactions
1 records
Compound notes
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