Basic information
- Standard SMILES
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccccc4)c3C)c2cc1OC- InChIKey
FEJRITRFMRJINW-UHFFFAOYSA-N- Molecular formula
- C31H32N6O4
- Average molar mass
- 552.6 g/mol
Names & identifiers
- Preferred name
- 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-yloxy)-2-methylphenyl)urea
- IUPAC
- 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]urea
Names & synonyms
SCHEMBL1013551CHEMBL5835088FEJRITRFMRJINW-UHFFFAOYSA-NBDBM333739US9730937, Example 2891-(3-tert- butyl-1- phenyl-1H- pyrazol- 5-yl)-3-(3- (6,7- dimethoxy- quinazolin- 4- yloxy)-2- methylphenyl) urea1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-yloxy)-2-methylphenyl)urea
Database identifiers
- PubChem CID
- 44243183
- ChEMBL
CHEMBL5835088
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 851
Related reactions
4 records
Compound notes
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