Basic information
- Standard SMILES
Cl.Cl.NC(CC(=O)Nc1ccc2cnccc2c1)c1ccsc1- InChIKey
TYBADYKWQIAPMO-UHFFFAOYSA-N- Molecular formula
- C16H17Cl2N3OS
- Average molar mass
- 370.3 g/mol
- Monoisotopic mass
- 369.0469387
Names & identifiers
- Preferred name
- 3-amino-N-(isoquinolin-6-yl)-3-(thiophen-3-yl)propanamide dihydrochloride
- IUPAC
- 3-amino-N-isoquinolin-6-yl-3-thiophen-3-ylpropanamide;dihydrochloride
Names & synonyms
SCHEMBL1094887TYBADYKWQIAPMO-UHFFFAOYSA-N3-amino-N-(isoquinolin-6-yl)-3-(thiophen-3-yl)propanamide dihydrochloride
Database identifiers
- PubChem CID
- 66905764
Properties
Computed structural properties
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 365
Related reactions
4 records
Compound notes
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