Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)c2cc(Cl)ccc2N)C1- InChIKey
GTDWEYHIAGDRJH-UHFFFAOYSA-N- Molecular formula
- C21H23ClN2O3
- Average molar mass
- 386.9 g/mol
Names & identifiers
- Preferred name
- 2-(N-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-5-yl)carbonyl-4-chloro-aniline
- IUPAC
- tert-butyl 5-(2-amino-5-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
Names & synonyms
SCHEMBL6187935GTDWEYHIAGDRJH-UHFFFAOYSA-N2-(N-tert-butoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-5-yl)carbonyl-4-chloro-aniline
Database identifiers
- PubChem CID
- 18315344
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 562
Related reactions
2 records
Compound notes
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