Basic information
- Standard SMILES
COc1ccc2c(c1)c(-c1ccc(OC)c(OC3CCCC3)c1)cn2S(=O)(=O)c1cccc2cc(C)cnc12- InChIKey
SSCQAGWGBAPIRO-UHFFFAOYSA-N- Molecular formula
- C31H30N2O5S
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.18754324
Names & identifiers
- Preferred name
- 8-[5-Methoxy-3-(3-cyclopentyloxy-4-methoxy-phenyl)-indole-1-sulfonyl]-3-methyl-quinoline
- IUPAC
- 8-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methoxyindol-1-yl]sulfonyl-3-methylquinoline
Names & synonyms
SCHEMBL4344240SSCQAGWGBAPIRO-UHFFFAOYSA-N8-[5-Methoxy-3-(3-cyclopentyloxy-4-methoxy-phenyl)-indole-1-sulfonyl]-3-methyl-quinoline
Database identifiers
- PubChem CID
- 57891717
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 920
Related reactions
1 records
Compound notes
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