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Basic information
- Standard SMILES
CC(C)[C@@H](Cn1ccnc1)Oc1ccc2c(c1[N+](=O)[O-])CCCC2=O- InChIKey
QWCUQDPVPFJGQC-QGZVFWFLSA-N- Molecular formula
- C18H21N3O4
- Average molar mass
- 343.4 g/mol
Names & identifiers
- Preferred name
- 6-((S)-1-imidazol-1-ylmethyl-2-methyl-propoxy)-5-nitro-3,4-dihydro-2H-naphthalen-1-one
- IUPAC
- 6-[(2S)-1-imidazol-1-yl-3-methylbutan-2-yl]oxy-5-nitro-3,4-dihydro-2H-naphthalen-1-one
Names & synonyms
SCHEMBL6299645QWCUQDPVPFJGQC-QGZVFWFLSA-N6-((S)-1-imidazol-1-ylmethyl-2-methyl-propoxy)-5-nitro-3,4-dihydro-2H-naphthalen-1-one
Database identifiers
- PubChem CID
- 69735280
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 493
Related reactions
1 records
Compound notes
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