Methyl 3-methoxy-2-[2-(2-isopropoxy-6-trifluoromethylpyrimidin4-on-3-ylmethyl)phenyl]acrylate

HCID 69904693
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC=C(C(=O)OC)c1ccccc1Cn1c(OC(C)C)nc(C(F)(F)F)cc1=O
InChIKey
UDEKSWNGEVXLBO-UHFFFAOYSA-N
Molecular formula
C20H21F3N2O5
Average molar mass
426.4 g/mol
Monoisotopic mass
426.14025626

Names & identifiers

Preferred name
Methyl 3-methoxy-2-[2-(2-isopropoxy-6-trifluoromethylpyrimidin4-on-3-ylmethyl)phenyl]acrylate
IUPAC
methyl 3-methoxy-2-[2-[[6-oxo-2-propan-2-yloxy-4-(trifluoromethyl)pyrimidin-1-yl]methyl]phenyl]prop-2-enoate

Names & synonyms

methyl 3-methoxy-2-[2-(2-isopropoxy-6-trifluoromethylpyrimidin4-on-3-ylmethyl)phenyl]acrylateSCHEMBL6812720

Database identifiers

PubChem CID
69904693

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
77.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
30

Related reactions

3 records
New reaction record

Compound notes

Loading…