Basic information
- CAS
126395-25-3- Standard SMILES
CCCCCCCCCCCCCNC(=O)c1c(O)cc(O)c([N+](=O)[O-])c1O- InChIKey
MSWMANFKQVMQAR-UHFFFAOYSA-N- Molecular formula
- C20H32N2O6
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.22603674
Names & identifiers
- Preferred name
- 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide
- IUPAC
- 2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide
Names & synonyms
2,4,6-trihydroxy-3-nitro-N-tridecylbenzamide126395-25-3JCG3XJ6USMBenzamide, 2,4,6-trihydroxy-3-nitro-N-tridecyl-UNII-JCG3XJ6USMRD2-4083CHEMBL1755322,4,6-Trihydroxy-3-nitro-N-tridecyl-benzamide3-Nitro-2,4,6-tris(oxidanyl)-N-tridecyl-benzamideRD34082SCHEMBL12902000DTXSID50333097
Show more names
BDBM50158817PD180144N-Tridecyl(2,4,6-trihydroxy-3-nitrophenyl)carboxamide
Database identifiers
- CAS
126395-25-3- PubChem CID
- 482191
- DTXSID
DTXSID50333097- ChEMBL
CHEMBL175532- UNII
- JCG3XJ6USM
- Nikkaji
- J396.576G
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…