tert-butyl 4-(3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxy propylcarbamoyl)phenyl)piperazine-1-carboxylate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)CC1- InChIKey
MKEYQOFHTPKGIZ-UHFFFAOYSA-N- Molecular formula
- C28H38N4O4
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.28930571
Names & identifiers
- Preferred name
- tert-butyl 4-(3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxy propylcarbamoyl)phenyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]carbamoyl]phenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL15825683SCHEMBL32617530MKEYQOFHTPKGIZ-UHFFFAOYSA-Ntert-butyl 4-(3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxy propylcarbamoyl)phenyl)piperazine-1-carboxylatetert-butyl 4-(3-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl carbamoyl)phenyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 90242007
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 734
Related reactions
4 records
Compound notes
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