(RS)-S-[3-({[4-(Isopropylamino)-6-methoxyquinazolin-7-yl]oxy}methyl)phenyl]-S-methylsulphoximide
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Basic information
- Standard SMILES
COc1cc2c(NC(C)C)ncnc2cc1OCc1cccc(S(C)(=N)=O)c1- InChIKey
TUSVILBKRNSXMM-UHFFFAOYSA-N- Molecular formula
- C20H24N4O3S
- Average molar mass
- 400.5 g/mol
Names & identifiers
- Preferred name
- (RS)-S-[3-({[4-(Isopropylamino)-6-methoxyquinazolin-7-yl]oxy}methyl)phenyl]-S-methylsulphoximide
- IUPAC
- 6-methoxy-7-[[3-(methylsulfonimidoyl)phenyl]methoxy]-N-propan-2-ylquinazolin-4-amine
Names & synonyms
SCHEMBL1706637TUSVILBKRNSXMM-UHFFFAOYSA-N(RS)-S-[3-({[4-(Isopropylamino)-6-methoxyquinazolin-7-yl]oxy}methyl)phenyl]-S-methylsulphoximide
Database identifiers
- PubChem CID
- 57788004
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 610
Related reactions
2 records
Compound notes
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