Basic information
- Standard SMILES
CSc1nn(-c2ccccc2)c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc12- InChIKey
UAGUDKLYYRVYCS-UHFFFAOYSA-N- Molecular formula
- C23H28N4O2S
- Average molar mass
- 424.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 4-(3-(methylthio)-1-phenyl-1H-indazol-6-yl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL2549633UAGUDKLYYRVYCS-UHFFFAOYSA-Ntert-butyl 4-(3-(methylthio)-1-phenyl-1H-indazol-6-yl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 67448703
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 584
Related reactions
1 records
Compound notes
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