Basic information
- Standard SMILES
COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(C)c4)c3)c2cc1OC- InChIKey
JHCCCWZUODAGLK-UHFFFAOYSA-N- Molecular formula
- C33H36N6O4S
- Average molar mass
- 612.7 g/mol
Names & identifiers
- Preferred name
- 1-(3-tert-butyl-1-m-tolyl-1H-pyrazol-5-yl)-3-(3-(6-methoxy-7-(2-methoxyethoxy)quinazolin-4-ylthio)phenyl)urea
- IUPAC
- 1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]sulfanylphenyl]urea
Names & synonyms
SCHEMBL1012413CHEMBL6030804JHCCCWZUODAGLK-UHFFFAOYSA-NBDBM333737US9730937, Example 2871-(3-tert- butyl-1-m- tolyl-1H- pyrazol-5-yl)- 3- (3-(6- methoxy-7-(2- methoxyethoxy) quinazolin-4- ylthio)phenyl) urea1-(3-tert-butyl-1-m-tolyl-1H-pyrazol-5-yl)-3-(3-(6-methoxy-7-(2-methoxyethoxy)quinazolin-4-ylthio)phenyl)urea
Database identifiers
- PubChem CID
- 44243263
- ChEMBL
CHEMBL6030804
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 910
Related reactions
4 records
Compound notes
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