Basic information
- Standard SMILES
CN1CCN(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1- InChIKey
CNCWOHWDOMQIEQ-UHFFFAOYSA-N- Molecular formula
- C14H18N4O5
- Average molar mass
- 322.32 g/mol
Names & identifiers
- Preferred name
- N-(4-methyl-1-piperazinyl)-7-nitro-1,4-benzodioxane-5-carboxamide
- IUPAC
- N-(4-methylpiperazin-1-yl)-7-nitro-2,3-dihydro-1,4-benzodioxine-5-carboxamide
Names & synonyms
SCHEMBL11273915CNCWOHWDOMQIEQ-UHFFFAOYSA-NN-(4-methyl-1-piperazinyl)-7-nitro-1,4-benzodioxane-5-carboxamide
Database identifiers
- PubChem CID
- 20544699
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 449
Related reactions
7 records
Compound notes
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