Basic information
- Standard SMILES
Nc1ncc(Br)c(N2CCN(CCNC(=O)Nc3ccccc3)CC2)c1[N+](=O)[O-]- InChIKey
SORLYIHJOHCYLC-UHFFFAOYSA-N- Molecular formula
- C18H22BrN7O3
- Average molar mass
- 464.3 g/mol
- Monoisotopic mass
- 463.09675
Names & identifiers
- Preferred name
- 1-(2-(4-(2-Amino-5-bromo-3-nitropyridin-4-yl)piperazin-1-yl)ethyl)-3-phenylurea
- IUPAC
- 1-[2-[4-(2-amino-5-bromo-3-nitro-4-pyridinyl)piperazin-1-yl]ethyl]-3-phenylurea
Names & synonyms
SCHEMBL210092SORLYIHJOHCYLC-UHFFFAOYSA-N1-(2-(4-(2-Amino-5-bromo-3-nitropyridin-4-yl)piperazin-1-yl)ethyl)-3-phenylurea
Database identifiers
- PubChem CID
- 57897293
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 550
Related reactions
3 records
Compound notes
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