1-[2-(2,6-Dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1h-isoindol-5-ylmethyl]-3-(4-trifluoromethoxy-phenyl)-urea

HCID 57730466
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Basic information

Standard SMILES
O=C1CCC(N2Cc3cc(CNC(=O)Nc4ccc(OC(F)(F)F)cc4)ccc3C2=O)C(=O)N1
InChIKey
NTHBWRXLCFLCGP-UHFFFAOYSA-N
Molecular formula
C22H19F3N4O5
Average molar mass
476.4 g/mol

Names & identifiers

Preferred name
1-[2-(2,6-Dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1h-isoindol-5-ylmethyl]-3-(4-trifluoromethoxy-phenyl)-urea
IUPAC
1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea

Names & synonyms

1-[2-(2,6-dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1h-isoindol-5-ylmethyl]-3-(4-trifluoromethoxy-phenyl)-ureaSCHEMBL1413684

Database identifiers

PubChem CID
57730466

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
117 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
34

Related reactions

2 records
New reaction record

Compound notes

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