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Basic information
- Standard SMILES
CC(C)c1nc2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c2n1Cc1ccc(C#N)c2ccccc12- InChIKey
JSQYFKFQPPGDKB-UHFFFAOYSA-N- Molecular formula
- C32H35N5O5
- Average molar mass
- 569.6 g/mol
- Monoisotopic mass
- 569.26381923
Names & identifiers
- Preferred name
- 1-(4-Cyanonaphth-1-yl)methyl-2-isopropyl-7-nitro-6-(N-(tert-butoxycarbonyl)piperidin-4-yloxy)benzimidazole
- IUPAC
- tert-butyl 4-[3-[(4-cyanonaphthalen-1-yl)methyl]-4-nitro-2-propan-2-ylbenzimidazol-5-yl]oxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL7477353JSQYFKFQPPGDKB-UHFFFAOYSA-N1-(4-Cyanonaphth-1-yl)methyl-2-isopropyl-7-nitro-6-(N-(tert-butoxycarbonyl)piperidin-4-yloxy)benzimidazole
Database identifiers
- PubChem CID
- 22100719
Properties
Computed structural propertiesFilling in
- XLogP
- 6.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
2 records
Compound notes
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