Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2cc(-c3cccc(C(N)=O)c3)ccc2C1- InChIKey
ZSBPNUQDOAYGJW-UHFFFAOYSA-N- Molecular formula
- C21H24N2O3
- Average molar mass
- 352.4 g/mol
Names & identifiers
- Preferred name
- 1,1-dimethylethyl 6-[3-(aminocarbonyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate
- IUPAC
- tert-butyl 6-(3-carbamoylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
Names & synonyms
SCHEMBL1785437ZSBPNUQDOAYGJW-UHFFFAOYSA-N1,1-dimethylethyl 6-[3-(aminocarbonyl)phenyl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate
Database identifiers
- PubChem CID
- 58276342
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 528
Related reactions
4 records
Compound notes
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