{4-Methyl-2-[3-oxo-3-(3-pyrazin-2-yl-phenyl)-propionylamino]-5-trifluoromethyl-phenyl}-carbamic acid tert-butyl ester

HCID 86589286
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Basic information

Standard SMILES
Cc1cc(NC(=O)CC(=O)c2cccc(-c3cnccn3)c2)c(NC(=O)OC(C)(C)C)cc1C(F)(F)F
InChIKey
LYSCMLXYTWGONW-UHFFFAOYSA-N
Molecular formula
C26H25F3N4O4
Average molar mass
514.5 g/mol

Names & identifiers

Preferred name
{4-Methyl-2-[3-oxo-3-(3-pyrazin-2-yl-phenyl)-propionylamino]-5-trifluoromethyl-phenyl}-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[4-methyl-2-[[3-oxo-3-(3-pyrazin-2-ylphenyl)propanoyl]amino]-5-(trifluoromethyl)phenyl]carbamate

Names & synonyms

{4-Methyl-2-[3-oxo-3-(3-pyrazin-2-yl-phenyl)-propionylamino]-5-trifluoromethyl-phenyl}-carbamic acid tert-butyl esterSCHEMBL5557288

Database identifiers

PubChem CID
86589286

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
110 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
37

Related reactions

3 records
New reaction record

Linked notes

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