11-(4-Fluoro-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole
Basic information
- Standard SMILES
Fc1nc(-c2c3ccccc3c3sc4ccccc4n23)nc(N2CCOCCOCCOCCOCC2)n1- InChIKey
YTJOBELHAALESR-UHFFFAOYSA-N- Molecular formula
- C27H28FN5O4S
- Average molar mass
- 537.6 g/mol
- Monoisotopic mass
- 537.18460373
Names & identifiers
- Preferred name
- 11-(4-Fluoro-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole
- IUPAC
- 13-(4-fluoro-6-isoindolo[1,2-b][1,3]benzothiazol-11-yl-1,3,5-triazin-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
Names & synonyms
NSC658409CHEMBL1968615NSC-65840911-(4-Fluoro-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole13-(4-fluoro-6-isoindolo[1,2-b][1,3]benzothiazol-11-yl-1,3,5-triazin-2-yl)-1,4,7,10-tetraoxa-13-azacyclopentadecaneNCI60_020515
Database identifiers
- PubChem CID
- 377183
- ChEMBL
CHEMBL1968615
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 730
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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