3-[2-Methyl-3,4-dihydro-3-oxo-4-(propynyl)-2H-1,4-benzoxazin-6-yl]-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione

HCID 22151123
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Basic information

Standard SMILES
CC#CN1C(=O)C(C)Oc2ccc(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)cc21
InChIKey
JRHFVZVTBYXVET-UHFFFAOYSA-N
Molecular formula
C17H12F3N3O4
Average molar mass
379.29 g/mol

Names & identifiers

Preferred name
3-[2-Methyl-3,4-dihydro-3-oxo-4-(propynyl)-2H-1,4-benzoxazin-6-yl]-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
IUPAC
3-(2-methyl-3-oxo-4-prop-1-ynyl-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

Names & synonyms

3-[2-Methyl-3,4-dihydro-3-oxo-4-(propynyl)-2H-1,4-benzoxazin-6-yl]-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedioneSCHEMBL9787271

Database identifiers

PubChem CID
22151123

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
79 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
27

Related reactions

1 records
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Compound notes

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