Basic information
- Standard SMILES
CC(C)[C@H](NC(=O)c1ccnn2c(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)nnc12)C(=O)OC(C)(C)C- InChIKey
OFQQFNBNGSKMKB-QFIPXVFZSA-N- Molecular formula
- C29H30F3N7O4
- Average molar mass
- 597.6 g/mol
Names & identifiers
- Preferred name
- (S)-tert-Butyl 3-methyl-2-(3-(4-(3-(2-(trifluoromethyl)phenyl)ureido)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamido)butanoate
- IUPAC
- tert-butyl (2S)-3-methyl-2-[[3-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carbonyl]amino]butanoate
Names & synonyms
(S)-tert-Butyl 3-methyl-2-(3-(4-(3-(2-(trifluoromethyl)phenyl)ureido)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamido)butanoateSCHEMBL1180249
Database identifiers
- PubChem CID
- 44256332
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 984
Related reactions
1 records
Compound notes
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