Basic information
- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CCn1c(=O)[nH]c2ccccc2c1=O- InChIKey
SMRKJBHOXFWMIM-UHFFFAOYSA-N- Molecular formula
- C14H13N5O4
- Average molar mass
- 315.28 g/mol
Names & identifiers
- Preferred name
- 3-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-2,4-(1H,3H)quinazolinedione
- IUPAC
- 3-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1H-quinazoline-2,4-dione
Names & synonyms
SCHEMBL11864757SMRKJBHOXFWMIM-UHFFFAOYSA-N3-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-2,4-(1H,3H)quinazolinedione
Database identifiers
- PubChem CID
- 21491660
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 508
Related reactions
1 records
Compound notes
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