Basic information
- Standard SMILES
CC(C)n1nc(C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)c2ccccc2)ccc1=O- InChIKey
BAYKIWHGTVWPAA-UHFFFAOYSA-N- Molecular formula
- C22H28N4O5
- Average molar mass
- 428.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl (2-{[1-(1-isopropyl-6-oxo-1,6-dihydro-3-pyridazinyl)-2-oxo-2-phenylethyl]amino}-2-oxoethyl)carbamate
- IUPAC
- tert-butyl N-[2-oxo-2-[[2-oxo-1-(6-oxo-1-propan-2-ylpyridazin-3-yl)-2-phenylethyl]amino]ethyl]carbamate
Names & synonyms
BAYKIWHGTVWPAA-UHFFFAOYSA-Ntert-butyl (2-{[1-(1-isopropyl-6-oxo-1,6-dihydro-3-pyridazinyl)-2-oxo-2-phenylethyl]amino}-2-oxoethyl)carbamate
Database identifiers
- PubChem CID
- 86600908
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 760
Related reactions
3 records
Compound notes
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