Compound C21H20F3N3O3

3-methyl-6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1,3-benzoxazol-2-one

CAS: 82608-05-7

Molecular Formula	`C21H20F3N3O3`
Molecular Weight	419.4 g/mol
LogP	3.6
Topological Polar Surface Area	53.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	419.1457
Heavy Atoms	30
Complexity	651.0

Chemical Identifiers

CAS Number	82608-05-7
SMILES	`CN1C2=C(C=C(C=C2)C(=O)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)OC1=O`
InChIKey	`XERIIBQQYDXGKO-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H20F3N3O3 (CAS: 82608-05-7) is a chemical compound with molecular formula C21H20F3N3O3 and molecular weight 419.4 g/mol. Its IUPAC systematic name is 3-methyl-6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1,3-benzoxazol-2-one. LogP 3.6 Topological Polar Surface Area 53.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 4 Exact Mass 419.1457 Heavy Atoms 30 Complexity 651.0 InChI Key: XERIIBQQYDXGKO-UHFFFAOYSA-N. SMILES: CN1C2=C(C=C(C=C2)C(=O)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)OC1=O.

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