Basic information
- Standard SMILES
CS(=O)c1ccc(-c2cn3c(c2-c2ccccc2)CCC3)cc1- InChIKey
NGWKVIDCGHGWKQ-UHFFFAOYSA-N- Molecular formula
- C20H19NOS
- Average molar mass
- 321.4 g/mol
Names & identifiers
- Preferred name
- 2-(4-Methylsulphinylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine
- IUPAC
- 6-(4-methylsulfinylphenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine
Names & synonyms
SCHEMBL6476132NGWKVIDCGHGWKQ-UHFFFAOYSA-N2-(4-Methylsulphinylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine
Database identifiers
- PubChem CID
- 9966909
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Related reactions
1 records
Compound notes
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