Basic information
- Standard SMILES
COc1cc(C(F)F)ccc1-c1nc(C)nc2cc(Br)ccc12- InChIKey
KRDQWWQMMMOQHJ-UHFFFAOYSA-N- Molecular formula
- C17H13BrF2N2O
- Average molar mass
- 379.2 g/mol
Names & identifiers
- Preferred name
- 7-Bromo-4-(4-(difluoromethyl)-2-methoxyphenyl)-2-methylquinazoline
- IUPAC
- 7-bromo-4-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylquinazoline
Names & synonyms
7-BROMO-4-(4-(DIFLUOROMETHYL)-2-METHOXYPHENYL)-2-METHYLQUINAZOLINESCHEMBL15010633
Database identifiers
- PubChem CID
- 86687754
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 401
Related reactions
1 records
Compound notes
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