Basic information
- Standard SMILES
CC(C)(C)c1ccc(C2CC2C(=O)N/N=C/c2cccc3cnccc23)cc1- InChIKey
HOFPVFVFOSSUCE-CVKSISIWSA-N- Molecular formula
- C24H25N3O
- Average molar mass
- 371.5 g/mol
Names & identifiers
- Preferred name
- 2-(4-tert-butylphenyl)-N-[(E)-isoquinolin-5-ylmethylideneamino]cyclopropane-1-carboxamide
- IUPAC
- 2-(4-tert-butylphenyl)-N-[(E)-isoquinolin-5-ylmethylideneamino]cyclopropane-1-carboxamide
Names & synonyms
CHEMBL2180779SCHEMBL1830364BDBM50003977
Database identifiers
- PubChem CID
- 44555440
- ChEMBL
CHEMBL2180779
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 573
Related reactions
2 records
Compound notes
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