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150756-35-7 | Acetic acid, 2-[2-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]ethoxy]-
CAS No: 150756-35-7 Catalog No: AG001MUB MDL No:
Product Description
Catalog Number:
AG001MUB
Chemical Name:
Acetic acid, 2-[2-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]ethoxy]-
CAS Number:
150756-35-7
Molecular Formula:
C21H24F2N2O3
Molecular Weight:
390.4237
IUPAC Name:
2-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]acetic acid
InChI:
InChI=1S/C21H24F2N2O3/c22-18-5-1-16(2-6-18)21(17-3-7-19(23)8-4-17)25-11-9-24(10-12-25)13-14-28-15-20(26)27/h1-8,21H,9-15H2,(H,26,27)
InChI Key:
BAWMMJAUVBLLEE-UHFFFAOYSA-N
SMILES:
OC(=O)COCCN1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F
UNII:
B6C301298G
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.175g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.431g/mol
Monoisotopic Mass:
390.175g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Cetirizine and loratadine-based antihistamines with 5-lipoxygenase inhibitory activity. | Bioorganic & medicinal chemistry letters 20041115 |
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