Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCc1ccc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cc1- InChIKey
GDCMKHYDRUJEGS-UHFFFAOYSA-N- Molecular formula
- C28H26F2N6O2
- Average molar mass
- 516.5 g/mol
- Monoisotopic mass
- 516.20853042
Names & identifiers
- Preferred name
- Tert-butyl 2-(4-(3-(difluoro(quinolin-6-yl)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)ethylcarbamate
- IUPAC
- tert-butyl N-[2-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]ethyl]carbamate
Names & synonyms
tert-butyl 2-(4-(3-(difluoro(quinolin-6-yl)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)ethylcarbamateSCHEMBL2698185
Database identifiers
- PubChem CID
- 67503262
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 803
Related reactions
2 records
Compound notes
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