Basic information
- CAS
575469-49-7- Standard SMILES
CCCCN(C)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1[N+](=O)[O-]- InChIKey
DJFCNNRBWKRWFA-UHFFFAOYSA-N- Molecular formula
- C20H22N4O3
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.16919058
Names & identifiers
- Preferred name
- 4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinone
- IUPAC
- 4-[4-[butyl(methyl)amino]-3-nitrophenyl]-2-methylphthalazin-1-one
Names & synonyms
575469-49-74-[4-(Butylmethylamino)-3-nitrophenyl]-2-methyl-1(2H)-phthalazinone4-(4-(Butylmethylamino)-3-nitrophenyl)-2-methyl-1(2H)-phthalazinoneRefChem:2878084-{4-[butyl(methyl)amino]-3-nitrophenyl}-2-methylphthalazin-1(2H)-one4-(4-(butyl(methyl)amino)-3-nitrophenyl)-2-methylphthalazin-1(2H)-oneDTXSID001162946STK238657AKOS001686848
Database identifiers
- CAS
575469-49-7- PubChem CID
- 3908464
- DTXSID
DTXSID001162946
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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