Basic information
- Standard SMILES
CC1=C2OC(C)(CN3CCN(c4ccc(-n5ccnc5)cc4)CC3)CC2C(C)C([N+](=O)[O-])=C1C- InChIKey
LDRQANHAINXSMQ-UHFFFAOYSA-N- Molecular formula
- C26H33N5O3
- Average molar mass
- 463.6 g/mol
Names & identifiers
- Preferred name
- 4-(+/-)-(5-Nitro-2,4,6,7-tetramethyldihydrobenzofuran-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)piperazine
- IUPAC
- 1-(4-imidazol-1-ylphenyl)-4-[(2,4,6,7-tetramethyl-5-nitro-3a,4-dihydro-3H-1-benzofuran-2-yl)methyl]piperazine
Names & synonyms
LDRQANHAINXSMQ-UHFFFAOYSA-N4-(+/-)-(5-nitro-2,4,6,7-tetramethyldihydrobenzofuran-2-ylmethyl)-1-(4-imidazol-1-ylphenyl)piperazine
Database identifiers
- PubChem CID
- 86608804
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 851
Related reactions
3 records
Compound notes
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