Basic information
- Standard SMILES
CCCN1NC(c2ccc(C)cc2)C2=C1C(=Cc1ccc(C)cc1)CSC2- InChIKey
YUHNSUXTHPVFJO-UHFFFAOYSA-N- Molecular formula
- C24H28N2S
- Average molar mass
- 376.6 g/mol
- Monoisotopic mass
- 376.19732008
Names & identifiers
- Preferred name
- 2,4,6,7-Tetrahydro-3-(4-methylphenyl)-7-[(4-methylphenyl)-methylene]-1-propylthiopyrano[4,3-c]pyrazole
- IUPAC
- 3-(4-methylphenyl)-7-[(4-methylphenyl)methylidene]-1-propyl-3,4-dihydro-2H-thiopyrano[4,3-c]pyrazole
Names & synonyms
SCHEMBL11504666YUHNSUXTHPVFJO-UHFFFAOYSA-N2,4,6,7-Tetrahydro-3-(4-methylphenyl)-7-[(4-methylphenyl)-methylene]-1-propylthiopyrano[4,3-c]pyrazole
Database identifiers
- PubChem CID
- 54527749
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 565
Related reactions
1 records
Compound notes
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