Basic information
- Standard SMILES
CCCN1N=C2C(=Cc3ccccc3)CSCC2C1c1ccccc1- InChIKey
JUGKHVPNYBEOAS-UHFFFAOYSA-N- Molecular formula
- C22H24N2S
- Average molar mass
- 348.5 g/mol
Names & identifiers
- Preferred name
- 2,3,3a,4,6,7-Hexahydro-3-phenyl-7-(phenylmethylene)-2-propylthiopyrano[4,3-c]pyrazole
- IUPAC
- 7-benzylidene-3-phenyl-2-propyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole
Names & synonyms
SCHEMBL11826103JUGKHVPNYBEOAS-UHFFFAOYSA-N2,3,3a,4,6,7-Hexahydro-3-phenyl-7-(phenylmethylene)-2-propylthiopyrano[4,3-c]pyrazole
Database identifiers
- PubChem CID
- 53974971
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 500
Related reactions
1 records
Compound notes
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