[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate
Basic information
- CAS
405146-84-1- Standard SMILES
CC(=O)Oc1ccccc1C(=O)Nn1cnnc1- InChIKey
VSNKXVCGHIDQMJ-UHFFFAOYSA-N- Molecular formula
- C11H10N4O3
- Average molar mass
- 246.22 g/mol
- Monoisotopic mass
- 246.07529019
Names & identifiers
- Preferred name
- [2-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate
- IUPAC
- [2-(1,2,4-triazol-4-ylcarbamoyl)phenyl] acetate
- English name
- Benzamide, 2-(acetyloxy)-N-4H-1,2,4-triazol-4-yl- (9CI)
- Molecular formula
- C11H10N4O3
- Molecular weight
- 246.22
Names & synonyms
405146-84-12-((4H-1,2,4-Triazol-4-yl)carbamoyl)phenyl acetate[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl] Acetate2-[(4H-1,2,4-Triazol-4-yl)carbamoyl]phenyl acetateOprea1_263689Oprea1_456484DTXSID80391842BENZAMIDE, 2-(ACETYLOXY)-N-4H-1,2,4-TRIAZOL-4-YL-Benzamide, 2-(acetyloxy)-N-4H-1,2,4-triazol-4-yl- (9CI)AKOS002684923DB-284876
Database identifiers
- CAS
405146-84-1- PubChem CID
- 3365472
- DTXSID
DTXSID80391842
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Comptox DTXSID
- 80391842 · DTXSID80391842
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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