Basic information
- CAS
440331-98-6- Standard SMILES
Cc1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)cc1- InChIKey
SJYKMCZHLIONDI-UHFFFAOYSA-N- Molecular formula
- C17H16N4O2
- Average molar mass
- 308.33 g/mol
- Monoisotopic mass
- 308.12732577
Names & identifiers
- Preferred name
- N-[(4-methylphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
- IUPAC
- N-[(4-methylphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
Names & synonyms
N-[(4-methylphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamideOprea1_012981MLS000771055CHEMBL1408461SCHEMBL17767112DTXSID701322234HMS2714N14AKOS001060613440331-98-6SMR000344145SR-01000565264SR-01000565264-1
Show more names
Z26148668N-[(4-Methylphenyl)methyl]-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamide
Database identifiers
- CAS
440331-98-6- PubChem CID
- 2115463
- DTXSID
DTXSID701322234- ChEMBL
CHEMBL1408461
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 471
Experimental & physicochemical properties
Solubility2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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