N-(4-bromo-3-methylphenyl)-2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Basic information
- CAS
939746-11-9- Standard SMILES
Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)ccc1Br- InChIKey
HGVZIJHRSRXJQP-UHFFFAOYSA-N- Molecular formula
- C21H22BrN3O2S
- Average molar mass
- 460.4 g/mol
- Monoisotopic mass
- 459.06161
Names & identifiers
- Preferred name
- N-(4-bromo-3-methylphenyl)-2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
- IUPAC
- N-(4-bromo-3-methylphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Names & synonyms
N-(4-bromo-3-methylphenyl)-2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamideDTXSID301116104STL018770AKOS003668068939746-11-9N-(4-Bromo-3-methylphenyl)-2-[[3,4-dihydro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide
Database identifiers
- CAS
939746-11-9- PubChem CID
- 20104147
- DTXSID
DTXSID301116104
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 612
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Compound notes
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