N-[4-(dimethylamino)phenyl]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide
Basic information
- CAS
900874-69-3- Standard SMILES
CN(C)c1ccc(NC(=O)CCCCCn2nnc3ccccc3c2=O)cc1- InChIKey
YRCUCKWCQPARHB-UHFFFAOYSA-N- Molecular formula
- C21H25N5O2
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.20082506
Names & identifiers
- Preferred name
- N-[4-(dimethylamino)phenyl]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide
- IUPAC
- N-[4-(dimethylamino)phenyl]-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamide
Names & synonyms
N-[4-(dimethylamino)phenyl]-6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanamide900874-69-3MLS001216546CHEMBL1731102DTXSID501324810HMS2877E08EiM07-17939STK717180AKOS005533817SMR000544103N-[4-(dimethylamino)phenyl]-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamideN-(4-(dimethylamino)phenyl)-6-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)hexanamide
Database identifiers
- CAS
900874-69-3- PubChem CID
- 4904094
- DTXSID
DTXSID501324810- ChEMBL
CHEMBL1731102
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
Experimental & physicochemical properties
Solubility5.1 [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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