Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCc1nn(NC(=O)CC2CCCCC2)c(=O)c2ccccc12- InChIKey
MDHGRJOBRZDAMN-UHFFFAOYSA-N- Molecular formula
- C22H30N4O4
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.22670545
Names & identifiers
- Preferred name
- Tert-butyl({3-[(cyclohexylacetyl)amino]-4-oxo-3,4-dihydrophthalazin-1-yl}methyl)carbamate
- IUPAC
- tert-butyl N-[[3-[(2-cyclohexylacetyl)amino]-4-oxophthalazin-1-yl]methyl]carbamate
Names & synonyms
MDHGRJOBRZDAMN-UHFFFAOYSA-Ntert-butyl({3-[(cyclohexylacetyl)amino]-4-oxo-3,4-dihydrophthalazin-1-yl}methyl)carbamate
Database identifiers
- PubChem CID
- 123795492
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 679
Related reactions
1 records
Compound notes
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