Basic information
- Standard SMILES
CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCCCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1- InChIKey
ZASJFZXTXKYKOW-UHFFFAOYSA-N- Molecular formula
- C27H38N6O3
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.3005391
Names & identifiers
- Preferred name
- N-{4-[4-(2-tert-Butyl-6-cyclobutyl-pyrimidin-4-yl)-piperazin-1-yl]-butyl}-4-nitro-benzamide
- IUPAC
- N-[4-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-nitrobenzamide
Names & synonyms
SCHEMBL4390987ZASJFZXTXKYKOW-UHFFFAOYSA-NN-{4-[4-(2-tert-Butyl-6-cyclobutyl-pyrimidin-4-yl)-piperazin-1-yl]-butyl}-4-nitro-benzamide
Database identifiers
- PubChem CID
- 69026237
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 718
Related reactions
2 records
Compound notes
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