(1S,9S)-t-butyl 9-amino-octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)[C@@H]1CCCN2CCC[C@H](N)C(=O)N12- InChIKey
VEHCGRZUQHIHEU-QWRGUYRKSA-N- Molecular formula
- C14H25N3O3
- Average molar mass
- 283.37 g/mol
Names & identifiers
- Preferred name
- (1S,9S)-t-butyl 9-amino-octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate
- IUPAC
- tert-butyl (4S,7S)-7-amino-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylate
Names & synonyms
106860-20-2(1S,9S)-t-butyl 9-amino-octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylatetert-butyl (4S,7S)-7-amino-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylateVEHCGRZUQHIHEU-QWRGUYRKSA-NSCHEMBL949486MFCD18252196SY390620(1S,9S)t-butyl 9-amino-octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate(1S, 9S) t-butyl 9-amino-octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate(1S, 9S)-t-butyl 9-amino-octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate(1S,9S) t-butyl 9-amino-octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylatetert-Butyl (1S,9S)-9-Amino-10-oxooctahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate
Database identifiers
- PubChem CID
- 11543750
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 392
Related reactions
12 records
Compound notes
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