Basic information
- Standard SMILES
COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(F)(F)F)nn4-c4ccc(C)cc4)c3)c2cc1OC- InChIKey
JMZQRKYQJKAGEP-UHFFFAOYSA-N- Molecular formula
- C30H27F3N6O4S
- Average molar mass
- 624.6 g/mol
Names & identifiers
- Preferred name
- 1-{3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-ylthio]phenyl}-3-[1-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]urea
- IUPAC
- 1-[3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]sulfanylphenyl]-3-[1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]urea
Names & synonyms
1-{3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-ylthio]phenyl}-3-[1-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]ureaSCHEMBL1779735CHEMBL5892897BDBM333693US9730937, Example 2431-{3-[6- methoxy-7- (2- methoxyethoxy)- 4- ylthio] phenyl}-1-[1-p- tolyl-3- trifluoromethyl)- 1H- pyrazol-5-yl] urea
Database identifiers
- PubChem CID
- 44243003
- ChEMBL
CHEMBL5892897
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 916
Related reactions
4 records
Compound notes
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