Basic information
- CAS
211119-16-3- Standard SMILES
CN(C)c1ccc(N=Nc2ccccc2C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
HOSBQZYVWXJBIU-DHIUTWEWSA-N- Molecular formula
- C24H25N5O5
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.18556891
Names & identifiers
- Preferred name
- 2-[2-[4-(Dimethylamino)phenyl]diazenyl]-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]benzamide
- IUPAC
- N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-[[4-(dimethylamino)phenyl]diazenyl]benzamide
Names & synonyms
DTXSID8011080352-[2-[4-(Dimethylamino)phenyl]diazenyl]-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]benzamide211119-16-3
Database identifiers
- CAS
211119-16-3- PubChem CID
- 165367367
- DTXSID
DTXSID801108035
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 684
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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