Basic information
- CAS
824968-41-4- Standard SMILES
Cc1[nH]nc2c1nc(-c1sc3ccccc3c1Cl)c1ccccc12- InChIKey
PYYYKLCEUATAMW-UHFFFAOYSA-N- Molecular formula
- C19H12ClN3S
- Average molar mass
- 349.8 g/mol
- Monoisotopic mass
- 349.0440463
Names & identifiers
- Preferred name
- 1H-Pyrazolo[4,3-c]isoquinoline, 5-(3-chlorobenzo[b]thien-2-yl)-3-methyl-
- IUPAC
- 5-(3-chloro-1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
Names & synonyms
824968-41-41H-Pyrazolo[4,3-c]isoquinoline, 5-(3-chlorobenzo[b]thien-2-yl)-3-methyl-SCHEMBL5738641DTXSID104631825-(3-chloro-1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
Database identifiers
- CAS
824968-41-4- PubChem CID
- 11348659
- DTXSID
DTXSID10463182
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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