Basic information
- CAS
107469-98-7- Standard SMILES
COc1ccc(C(=O)NCc2nc3ccccc3[nH]c(-c3ccccc3)c3cc(Cl)ccc3n2)cc1- InChIKey
OKGAYUPYXBIZIX-UHFFFAOYSA-N- Molecular formula
- C29H23ClN4O2
- Average molar mass
- 495 g/mol
- Monoisotopic mass
- 494.1509537
Names & identifiers
- Preferred name
- N-((2-Chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)-4-methoxybenzamide
- IUPAC
- N-[(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)methyl]-4-methoxybenzamide
Names & synonyms
107469-98-7N-((2-Chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)-4-methoxybenzamideBenzamide, N-((2-chloro-13-phenyl-5H-dibenzo(d,h)(1,3,6)triazonin-6-yl)methyl)-4-methoxy-
Database identifiers
- CAS
107469-98-7- PubChem CID
- 3065254
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 697
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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