Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Oc2cc(=O)n(-c3ccc(Br)cc3F)nc2C(N)=O)CC1- InChIKey
FRJZHSVLHDGFLU-UHFFFAOYSA-N- Molecular formula
- C21H24BrFN4O5
- Average molar mass
- 511.3 g/mol
- Monoisotopic mass
- 510.09141
Names & identifiers
- Preferred name
- tert-Butyl 4-(1-(4-bromo-2-fluorophenyl)-3-carbamoyl-6-oxo-1,6-dihydropyridazin-4-yloxy)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[1-(4-bromo-2-fluorophenyl)-3-carbamoyl-6-oxopyridazin-4-yl]oxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL2541898FRJZHSVLHDGFLU-UHFFFAOYSA-Ntert-Butyl 4-(1-(4-bromo-2-fluorophenyl)-3-carbamoyl-6-oxo-1,6-dihydropyridazin-4-yloxy)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 67445269
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 819
Related reactions
1 records
Compound notes
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