Basic information
- Standard SMILES
CCCN1N=C2C(=Cc3ccc(Cl)cc3)CSCC2C1c1ccc(Cl)cc1- InChIKey
AMICBVLQRJCZEG-UHFFFAOYSA-N- Molecular formula
- C22H22Cl2N2S
- Average molar mass
- 417.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-7-[(4-chlorophenyl)methylene]-2,3,3a,4,6,7-hexahydro-2-propylthiopyrano[4,3-c]pyrazole
- IUPAC
- 3-(4-chlorophenyl)-7-[(4-chlorophenyl)methylidene]-2-propyl-3a,4-dihydro-3H-thiopyrano[4,3-c]pyrazole
Names & synonyms
SCHEMBL11823833AMICBVLQRJCZEG-UHFFFAOYSA-N3-(4-Chlorophenyl)-7-[(4-chlorophenyl)methylene]-2,3,3a,4,6,7-hexahydro-2-propylthiopyrano[4,3-c]pyrazole
Database identifiers
- PubChem CID
- 53650489
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 563
Related reactions
1 records
Compound notes
Loading…