Glycine, N-cyclohexyl-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester

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Basic information

CAS: 110009-14-8
Standard SMILES: Cc1nc2c(Br)cc(Br)cc2c(=O)n1CCOC(=O)CNC1CCCCC1
InChIKey: LGDRKYNOCCLWIH-UHFFFAOYSA-N
Molecular formula: C19H23Br2N3O3
Average molar mass: 501.2 g/mol
Monoisotopic mass: 499.01062

Names & identifiers

Preferred name: Glycine, N-cyclohexyl-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester
IUPAC: 2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(cyclohexylamino)acetate

Names & synonyms

Glycine, N-cyclohexyl-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester110009-14-8DTXSID80149108beta-(6,8-Dibromo-2-methyl-3,4-dihydro-4-oxoquinazolin-3-yl)ethyl cyclohexylaminoacetateN-Cyclohexylglycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl esterRefChem:346559DTXCID50715992-(6,8-dibromo-2-methyl-4-oxoquinazolin-3(4h)-yl)ethyl n-cyclohexylglycinate

Database identifiers

CAS: 110009-14-8
PubChem CID: 60392
DTXSID: DTXSID80149108

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 71 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 581

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Compound notes

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