methyl 3-({[4-(5-methyl-1H-1,2,3-triazol-1-yl)phenyl]carbonyl}amino)benzoate
Basic information
- CAS
924828-97-7- Standard SMILES
COC(=O)c1cccc(NC(=O)c2ccc(-n3nncc3C)cc2)c1- InChIKey
VNQOXJMCNNQFKQ-UHFFFAOYSA-N- Molecular formula
- C18H16N4O3
- Average molar mass
- 336.3 g/mol
Names & identifiers
- Preferred name
- methyl 3-({[4-(5-methyl-1H-1,2,3-triazol-1-yl)phenyl]carbonyl}amino)benzoate
- IUPAC
- methyl 3-[[4-(5-methyltriazol-1-yl)benzoyl]amino]benzoate
- English name
- methyl 3-({[4-(5-methyl-1H-1,2,3-triazol-1-yl)phenyl]carbonyl}amino)benzoate
- Molecular formula
- C18H16N4O3
- Molecular weight
- 336.34
Names & synonyms
924828-97-7methyl 3-({[4-(5-methyl-1H-1,2,3-triazol-1-yl)phenyl]carbonyl}amino)benzoateSTK867778AKOS002320437ST50773330methyl 3-(4-(5-methyl-1H-1,2,3-triazol-1-yl)benzamido)benzoatemethyl 3-{[4-(5-methyl-1,2,3-triazolyl)phenyl]carbonylamino}benzoateBenzoic acid, 3-[[4-(5-methyl-1H-1,2,3-triazol-1-yl)benzoyl]amino]-, methyl ester
Database identifiers
- CAS
924828-97-7
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 12.19 · 12.19±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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