1-(3-oxo-4H-1,4-benzoxazin-8-yl)-3-[[5-(trifluoromethyl)-2-pyridyl]methyl]urea

HCID 53476701
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Basic information

Standard SMILES
O=C1COc2c(cccc2NC(=O)NCc2ccc(C(F)(F)F)cn2)N1
InChIKey
LVCIOZUQSYCYGT-UHFFFAOYSA-N
Molecular formula
C16H13F3N4O3
Average molar mass
366.29 g/mol
Monoisotopic mass
366.09397478

Names & identifiers

Preferred name
1-(3-oxo-4H-1,4-benzoxazin-8-yl)-3-[[5-(trifluoromethyl)-2-pyridyl]methyl]urea
IUPAC
1-(3-oxo-4H-1,4-benzoxazin-8-yl)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]urea

Names & synonyms

1-(3-oxo-4H-1,4-benzoxazin-8-yl)-3-[[5-(trifluoromethyl)-2-pyridyl]methyl]ureaSCHEMBL2560397

Database identifiers

PubChem CID
53476701

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
92.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
26

Related reactions

1 records
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Compound notes

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