Basic information
- Standard SMILES
O=S(=O)(c1ccccc1)n1cc(C2CCN3CCCC3C2)c2cccnc21- InChIKey
ZXIIOYMPSDKYNZ-UHFFFAOYSA-N- Molecular formula
- C21H23N3O2S
- Average molar mass
- 381.5 g/mol
Names & identifiers
- Preferred name
- 3-(Octahydro-7-indolizinyl)-1-benzenesulfonyl-7-azaindole
- IUPAC
- 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine
Names & synonyms
SCHEMBL2065057ZXIIOYMPSDKYNZ-UHFFFAOYSA-N3-(Octahydro-7-indolizinyl)-1-benzenesulfonyl-7-azaindole
Database identifiers
- PubChem CID
- 9864733
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 628
Related reactions
5 records
Compound notes
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