N-(2-fluorophenyl)-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamide
Basic information
- CAS
880811-20-1- Standard SMILES
O=C(CCCCCn1nnc2ccccc2c1=O)Nc1ccccc1F- InChIKey
DGDDCENXFUHWQN-UHFFFAOYSA-N- Molecular formula
- C19H19FN4O2
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.14920402
Names & identifiers
- Preferred name
- N-(2-fluorophenyl)-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamide
- IUPAC
- N-(2-fluorophenyl)-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamide
Names & synonyms
880811-20-1N-(2-fluorophenyl)-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamideN-(2-fluorophenyl)-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamideN-(2-fluorophenyl)-6-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)hexanamideN-(2-fluorophenyl)-6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamideMLS001214268CHEMBL1705209DTXSID701327408HMS2884L20STK850369AKOS002211512SMR000543883
Show more names
F3351-0351
Database identifiers
- CAS
880811-20-1- PubChem CID
- 4906582
- DTXSID
DTXSID701327408- ChEMBL
CHEMBL1705209
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 528
Experimental & physicochemical properties
Solubility7.5 [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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