Basic information
- Standard SMILES
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCSC- InChIKey
WBZYGYBGPCFOKP-UHFFFAOYSA-N- Molecular formula
- C19H19BrFN3O2S
- Average molar mass
- 452.3 g/mol
Names & identifiers
- Preferred name
- 4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-(3-methylthiopropoxy)quinazoline
- IUPAC
- N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(3-methylsulfanylpropoxy)quinazolin-4-amine
Names & synonyms
SCHEMBL1467577WBZYGYBGPCFOKP-UHFFFAOYSA-N4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(3 methylthiopropoxy)quinazoline4-(4-bromo-2-fluoroanilino)-6-methoxy-7-(3-methylthiopropoxy)quinazoline
Database identifiers
- PubChem CID
- 22478281
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 453
Related reactions
9 records
Compound notes
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