N-{[6-bromo-1-(4-methoxybenzyl)-3-methyl-2-oxo-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-4-yl]methyl}4-fluorobenzamide
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Basic information
- Standard SMILES
COc1ccc(CN2C(=O)N(C)C(CNC(=O)c3ccc(F)cc3)(C(F)(F)F)c3cc(Br)ccc32)cc1- InChIKey
ORCGLAHPBBRZMJ-UHFFFAOYSA-N- Molecular formula
- C26H22BrF4N3O3
- Average molar mass
- 580.4 g/mol
Names & identifiers
- Preferred name
- N-{[6-bromo-1-(4-methoxybenzyl)-3-methyl-2-oxo-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-4-yl]methyl}4-fluorobenzamide
- IUPAC
- N-[[6-bromo-1-[(4-methoxyphenyl)methyl]-3-methyl-2-oxo-4-(trifluoromethyl)quinazolin-4-yl]methyl]-4-fluorobenzamide
Names & synonyms
N-{[6-bromo-1-(4-methoxybenzyl)-3-methyl-2-oxo-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-4-yl]methyl}4-fluorobenzamideSCHEMBL3034038N-{[6-bromo-1-(4-methoxybenzyl)-3-methyl -2-oxo-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-4-yl]methyl}4-fluorobenzamide
Database identifiers
- PubChem CID
- 68487482
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 817
Related reactions
4 records
Compound notes
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