Basic information
- Standard SMILES
COc1cc2c(C(=O)N3CCc4ccccc4C3)cnc(CNC(=O)OC(C)(C)C)c2cc1OC- InChIKey
SCVYBMFGLLSYRO-UHFFFAOYSA-N- Molecular formula
- C27H31N3O5
- Average molar mass
- 477.6 g/mol
Names & identifiers
- Preferred name
- [4-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-6,7-dimethoxy-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6,7-dimethoxyisoquinolin-1-yl]methyl]carbamate
Names & synonyms
SCHEMBL3364123SCVYBMFGLLSYRO-UHFFFAOYSA-N[4-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-6,7-dimethoxy-isoquinolin-1-ylmethyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59341087
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 741
Related reactions
4 records
Linked notes
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