Basic information
- CAS
107469-99-8- Standard SMILES
COc1cc(C(=O)NCc2nc3ccccc3[nH]c(-c3ccccc3)c3cc(Cl)ccc3n2)cc(OC)c1OC- InChIKey
JZSDCDSEKSZOPA-UHFFFAOYSA-N- Molecular formula
- C31H27ClN4O4
- Average molar mass
- 555 g/mol
- Monoisotopic mass
- 554.172083
Names & identifiers
- Preferred name
- N-((2-Chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)-3,4,5-trimethoxybenzamide
- IUPAC
- N-[(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)methyl]-3,4,5-trimethoxybenzamide
Names & synonyms
107469-99-8N-((2-Chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)-3,4,5-trimethoxybenzamideBenzamide, N-((2-chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)-3,4,5-trimethoxy-DTXSID601384738
Database identifiers
- CAS
107469-99-8- PubChem CID
- 60191
- DTXSID
DTXSID601384738
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 787
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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