Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@H](C#Cc1cc(-c2ccc3cnccc3c2)no1)Cc1ccccc1- InChIKey
UEBAQPCLUFZUNS-HSZRJFAPSA-N- Molecular formula
- C27H25N3O3
- Average molar mass
- 439.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl(S)-4-(3-(isoquinolin-6-yl)isoxazol-5-yl)-1-phenylbut-3-yn-2-ylcarbamate
- IUPAC
- tert-butyl N-[(2S)-4-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)-1-phenylbut-3-yn-2-yl]carbamate
Names & synonyms
SCHEMBL12765705UEBAQPCLUFZUNS-HSZRJFAPSA-Ntert-butyl(S)-4-(3-(isoquinolin-6-yl)isoxazol-5-yl)-1-phenylbut-3-yn-2-ylcarbamate
Database identifiers
- PubChem CID
- 57950644
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 715
Related reactions
2 records
Compound notes
Loading…