Basic information
- Standard SMILES
CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3ncnc4cc(F)c(F)cc34)c2)no1- InChIKey
WBQQNVSAYSTXFA-UHFFFAOYSA-N- Molecular formula
- C22H19F2N5O3
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 439.14559581
Names & identifiers
- Preferred name
- 1-(5-Tert-butylisoxazol-3-yl)-3-(3-(6,7-difluoroquinazolin-4-yloxy)phenyl)urea
- IUPAC
- 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-(6,7-difluoroquinazolin-4-yl)oxyphenyl]urea
Names & synonyms
SCHEMBL1012648WBQQNVSAYSTXFA-UHFFFAOYSA-N1-(5-tert-butylisoxazol-3-yl)-3-(3-(6,7-difluoroquinazolin-4-yloxy)phenyl)urea
Database identifiers
- PubChem CID
- 44243177
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 652
Related reactions
3 records
Compound notes
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