4-bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-phenyl}-2-trifluoromethoxy-benzenesulfonamide
Basic information
- Standard SMILES
CN(C)c1nc(NCc2ccc(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)cc2)nc2ccccc12- InChIKey
JHWJJNWRPYRLMU-UHFFFAOYSA-N- Molecular formula
- C24H21BrF3N5O3S
- Average molar mass
- 596.4 g/mol
- Monoisotopic mass
- 595.05006
Names & identifiers
- Preferred name
- 4-bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-phenyl}-2-trifluoromethoxy-benzenesulfonamide
- IUPAC
- 4-bromo-N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
Names & synonyms
4-bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-phenyl}-2-trifluoromethoxy-benzenesulfonamideSCHEMBL3940875
Database identifiers
- PubChem CID
- 57714411
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 838
Related reactions
2 records
Compound notes
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