N-(4-Fluoro-2-hydroxybenzyl)-3-(benzyloxy)-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

HCID 21070018

Notes Reactions

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Basic information

Standard SMILES: CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1O)c(OCc1ccccc1)c2=O
InChIKey: GOJJVATVRPTNGL-UHFFFAOYSA-N
Molecular formula: C24H24FN3O5
Average molar mass: 453.5 g/mol
Monoisotopic mass: 453.16999904

Names & identifiers

Preferred name: N-(4-Fluoro-2-hydroxybenzyl)-3-(benzyloxy)-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
IUPAC: N-[(4-fluoro-2-hydroxyphenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

Names & synonyms

SCHEMBL4039718GOJJVATVRPTNGL-UHFFFAOYSA-NN-(4-Fluoro-2-hydroxybenzyl)-3-(benzyloxy)-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

Database identifiers

PubChem CID: 21070018

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 100 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 33
Formal charge: 0
Complexity: 821

Related reactions

4 records

New reaction record

HRID 348174As productuspto-grants-2007_02

HRID 1372280As productuspto-grants-2007_01

HRID 1726611As productuspto-grants-2009_02

HRID 1788174As productuspto-grants-2009_03

Compound notes

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