Basic information
- Standard SMILES
Cc1cccc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c12- InChIKey
ZMMYDGOVQUNYCS-UHFFFAOYSA-N- Molecular formula
- C23H23N5O3
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.18008961
Names & identifiers
- Preferred name
- 1-(5-Tert-butyl isoxazol-3-yl)-3-(3-(5-methylquinazolin-4-yloxy)phenyl)urea
- IUPAC
- 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-(5-methylquinazolin-4-yl)oxyphenyl]urea
Names & synonyms
SCHEMBL1012649ZMMYDGOVQUNYCS-UHFFFAOYSA-N1-(5-tert-butyl isoxazol-3-yl)-3-(3-(5-methylquinazolin-4-yloxy)phenyl)urea1-(5-tert-butylisoxazol-3-yl)-3-(3-(5-methylquinazolin-4-yloxy)phenyl)urea
Database identifiers
- PubChem CID
- 44243178
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 613
Related reactions
3 records
Compound notes
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