Basic information
- Standard SMILES
Cc1ccc(-c2cccc(C(=O)CC(=O)Nc3cc(-c4ccccc4F)ccc3NC(=O)OC(C)(C)C)c2)nn1- InChIKey
YFGINBUYENXRIR-UHFFFAOYSA-N- Molecular formula
- C31H29FN4O4
- Average molar mass
- 540.6 g/mol
- Monoisotopic mass
- 540.21728358
Names & identifiers
- Preferred name
- (2'-Fluoro-3-{3-[3-(6-methyl-pyridazin-3-yl)-phenyl]-3-oxo-propionylamino}-biphenyl-4-yl)-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-(2-fluorophenyl)-2-[[3-[3-(6-methylpyridazin-3-yl)phenyl]-3-oxopropanoyl]amino]phenyl]carbamate
Names & synonyms
SCHEMBL5556860YFGINBUYENXRIR-UHFFFAOYSA-N(2'-Fluoro-3-{3-[3-(6-methyl-pyridazin-3-yl)-phenyl]-3-oxo-propionylamino}-biphenyl-4-yl)-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86589232
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 880
Related reactions
3 records
Compound notes
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