Basic information
- Standard SMILES
Cc1c(C(Cl)=Cc2ccc(C(F)(F)F)cc2)ccc2nc(N)nc(N)c12- InChIKey
FBADOZDRFHDONX-UHFFFAOYSA-N- Molecular formula
- C18H14ClF3N4
- Average molar mass
- 378.8 g/mol
Names & identifiers
- Preferred name
- 2,4-Diamino-5-methyl-6-[1-chloro-2-(4-trifluoromethylphenyl)ethenyl]quinazoline
- IUPAC
- 6-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-5-methylquinazoline-2,4-diamine
Names & synonyms
2,4-diamino-5-methyl-6-[1-chloro-2-(4-trifluoromethylphenyl)ethenyl]quinazolineSCHEMBL8390869
Database identifiers
- PubChem CID
- 53789780
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 519
Related reactions
3 records
Compound notes
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