(S)-tert-butyl 1-(isoquinolin-7-ylamino)-4-methyl-1-oxopentan-2-yl(methyl)carbamate
Basic information
- Standard SMILES
CC(C)C[C@@H](C(=O)Nc1ccc2ccncc2c1)N(C)C(=O)OC(C)(C)C- InChIKey
WZZRPDUIYYZPPW-SFHVURJKSA-N- Molecular formula
- C21H29N3O3
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.2208918
Names & identifiers
- Preferred name
- (S)-tert-butyl 1-(isoquinolin-7-ylamino)-4-methyl-1-oxopentan-2-yl(methyl)carbamate
- IUPAC
- tert-butyl N-[(2S)-1-(isoquinolin-7-ylamino)-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
Names & synonyms
SCHEMBL1096736WZZRPDUIYYZPPW-SFHVURJKSA-N(S)-tert-butyl 1-(isoquinolin-7-ylamino)-4-methyl-1-oxopentan-2-yl(methyl)carbamate
Database identifiers
- PubChem CID
- 57788111
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 515
Related reactions
3 records
Compound notes
Loading…