[6,7-Dimethoxy-4-(4-methoxy-benzylcarbamoyl)-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester
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Basic information
- Standard SMILES
COc1ccc(CNC(=O)c2cnc(CNC(=O)OC(C)(C)C)c3cc(OC)c(OC)cc23)cc1- InChIKey
YUZPUPIGIBRTFU-UHFFFAOYSA-N- Molecular formula
- C26H31N3O6
- Average molar mass
- 481.5 g/mol
Names & identifiers
- Preferred name
- [6,7-Dimethoxy-4-(4-methoxy-benzylcarbamoyl)-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[[6,7-dimethoxy-4-[(4-methoxyphenyl)methylcarbamoyl]isoquinolin-1-yl]methyl]carbamate
Names & synonyms
SCHEMBL3365143YUZPUPIGIBRTFU-UHFFFAOYSA-N[6,7-Dimethoxy-4-(4-methoxy-benzylcarbamoyl)-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68614449
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 691
Related reactions
4 records
Compound notes
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