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

HCID 86589340
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Basic information

Standard SMILES
COc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3cccnc3)c2)cc1C(F)(F)F
InChIKey
MMWXJTKXWBWDSL-UHFFFAOYSA-N
Molecular formula
C27H26F3N3O5
Average molar mass
529.5 g/mol

Names & identifiers

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

Names & synonyms

{5-Methoxy-2-[3-oxo-3-(3-pyridin-3-yl-phenyl)-propionylamino]-4-trifluoromethyl-phenyl}-carbamic acid tert-butyl esterSCHEMBL5562768

Database identifiers

PubChem CID
86589340

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
38

Related reactions

4 records
New reaction record

Linked notes

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