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Basic information
- Standard SMILES
CCOC(C)(C)c1cc(NC(=O)Nc2cccc(Sc3ncnc4cc(OC)c(OC)cc34)c2)n(-c2ccccc2)n1- InChIKey
BWAWRCDTKURWRQ-UHFFFAOYSA-N- Molecular formula
- C31H32N6O4S
- Average molar mass
- 584.7 g/mol
- Monoisotopic mass
- 584.2205747
Names & identifiers
- Preferred name
- 1-[3-(6,7-dimethoxyquinazolin-4-ylthio)phenyl]-3-[3-(2-ethoxypropan-2-yl)-1-phenyl-1H-pyrazol-5-yl]urea
- IUPAC
- 1-[3-(6,7-dimethoxyquinazolin-4-yl)sulfanylphenyl]-3-[3-(2-ethoxypropan-2-yl)-1-phenylpyrazol-5-yl]urea
Names & synonyms
SCHEMBL1011762BWAWRCDTKURWRQ-UHFFFAOYSA-N1-[3-(6,7-dimethoxyquinazolin-4-ylthio)phenyl]-3-[3-(2-ethoxypropan-2-yl)-1-phenyl-1H-pyrazol-5-yl]urea
Database identifiers
- PubChem CID
- 58267828
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 863
Related reactions
4 records
Compound notes
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