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

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Basic information

CAS: 110009-15-9
Standard SMILES: Cc1nc2c(Br)cc(Br)cc2c(=O)n1CCOC(=O)CNCc1ccccc1
InChIKey: CVXAXBDYMCJDCF-UHFFFAOYSA-N
Molecular formula: C20H19Br2N3O3
Average molar mass: 509.2 g/mol
Monoisotopic mass: 506.97932

Names & identifiers

Preferred name: Glycine, N-(phenylmethyl)-, 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-(benzylamino)acetate

Names & synonyms

Glycine, N-(phenylmethyl)-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester110009-15-9DTXSID40149109beta-(6,8-Dibromo-2-methyl-3,4-dihydro-4-oxoquinazolin-3-yl)ethyl benzylaminoacetateN-(Phenylmethyl)glycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl esterRefChem:346538DTXCID70716002-(6,8-dibromo-2-methyl-4-oxoquinazolin-3(4h)-yl)ethyl n-benzylglycinate

Database identifiers

CAS: 110009-15-9
PubChem CID: 60393
DTXSID: DTXSID40149109

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 71 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 595

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