Basic information
- CAS
443125-92-6- Standard SMILES
Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc(OCc5ccccc5)c4)cc3n2)cc1- InChIKey
XOESPEWPOYLYEV-UHFFFAOYSA-N- Molecular formula
- C27H21ClN4O2
- Average molar mass
- 468.9 g/mol
Names & identifiers
- Preferred name
- 3-(benzyloxy)-N-[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]benzamide
- IUPAC
- N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]-3-phenylmethoxybenzamide
- English name
- 3-(benzyloxy)-N-[6-chloro-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamide
- Molecular formula
- C27H21ClN4O2
- Molecular weight
- 468.93
Names & synonyms
3-(benzyloxy)-N-[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]benzamideOprea1_461725AN-465/40935035STK184259AKOS001948995N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]-3-phenylmethoxybenzamide3-(benzyloxy)-N-[6-chloro-2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]benzamideBenzamide, N-[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]-3-(phenylmethoxy)-
Database identifiers
- CAS
443125-92-6
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 667
Physicochemical properties
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 10.49 · 10.49±0.43(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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