N-[[4-(3-azaspiro[5.5]undec-3-yl)phenyl]methylideneamino]-4-nitro-benzamide
Basic information
- CAS
60948-34-7- Standard SMILES
O=C(NN=Cc1ccc(N2CCC3(CCCCC3)CC2)cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
VGYALXVXFGEPKN-UHFFFAOYSA-N- Molecular formula
- C24H28N4O3
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.21614077
Names & identifiers
- Preferred name
- N-[[4-(3-azaspiro[5.5]undec-3-yl)phenyl]methylideneamino]-4-nitro-benzamide
- IUPAC
- N-[[4-(3-azaspiro[5.5]undecan-3-yl)phenyl]methylideneamino]-4-nitrobenzamide
Names & synonyms
60948-34-7DTXSID30976421DS-002215N-[[4-(3-azaspiro[5.5]undec-3-yl)phenyl]methylideneamino]-4-nitro-benzamideN-{[4-(3-Azaspiro[5.5]undecan-3-yl)phenyl]methylidene}-4-nitrobenzene-1-carbohydrazonic acid
Database identifiers
- CAS
60948-34-7- PubChem CID
- 286040
- DTXSID
DTXSID30976421
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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