Basic information
- Standard SMILES
Nc1nccc2ccc(CN3CCC(NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12- InChIKey
NVKDOURNRJCKJE-UHFFFAOYSA-N- Molecular formula
- C21H19N5O3S2
- Average molar mass
- 453.5 g/mol
Names & identifiers
- Preferred name
- N-[1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide
- IUPAC
- N-[1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide
Names & synonyms
SCHEMBL12589596PD038886
Database identifiers
- PubChem CID
- 5110
- Nikkaji
- J2.335.750J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 775
Related reactions
2 records
Compound notes
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