Basic information
- CAS
83376-84-5- Standard SMILES
CCCSN1N=C2/C(=C/c3ccccc3)CC(O)(O)C[C@@H]2[C@H]1c1ccc(C)cc1- InChIKey
PPZJULWGGZCDCB-CRXHNBCFSA-N- Molecular formula
- C24H28N2O2S
- Average molar mass
- 408.6 g/mol
- Monoisotopic mass
- 408.18714931
Names & identifiers
- Preferred name
- Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-7-(p-methylbenzylidene)-2-propyl-3-p-tolyl-5,5-dioxide, (3-alpha,3a-alpha,7Z)-
- IUPAC
- (3S,3aR,7E)-7-benzylidene-3-(4-methylphenyl)-2-propylsulfanyl-3,3a,4,6-tetrahydroindazole-5,5-diol
Names & synonyms
83376-84-5Thiopyrano(4,3-c)pyrazole, 2,3,3a,4,6,7-hexahydro-7-(p-methylbenzylidene)-2-propyl-3-p-tolyl-5,5-dioxide, (3-alpha,3a-alpha,7Z)-RefChem:1100033BRN 1048553
Database identifiers
- CAS
83376-84-5- PubChem CID
- 6448166
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 618
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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