Basic information
- CAS
944773-41-5- Standard SMILES
CCOC(=O)c1ccccc1NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C- InChIKey
SZADSOPWDAUVEH-UHFFFAOYSA-N- Molecular formula
- C20H18F2N4O4
- Average molar mass
- 416.4 g/mol
Names & identifiers
- Preferred name
- ethyl 2-[({1-[4-(difluoromethoxy)phenyl]-5-methyl-1H-1,2,3-triazol-4-yl}carbonyl)amino]benzoate
- IUPAC
- ethyl 2-[[1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carbonyl]amino]benzoate
- English name
- ethyl 2-[({1-[4-(difluoromethoxy)phenyl]-5-methyl-1H-1,2,3-triazol-4-yl}carbonyl)amino]benzoate
- Molecular formula
- C20H18F2N4O4
- Molecular weight
- 416.3781264
Names & synonyms
ethyl 2-[({1-[4-(difluoromethoxy)phenyl]-5-methyl-1H-1,2,3-triazol-4-yl}carbonyl)amino]benzoateAP-501/43407038ethyl 2-[[1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carbonyl]amino]benzoate
Database identifiers
- CAS
944773-41-5
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 589
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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