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Home > Fluorides > 178165-43-0
178165-43-0 | 2(3H)-Benzoxazolone, 6-[3-[4-[(4-fluorophenyl)methyl]-1-piperidinyl]-1-oxopropyl]-
CAS No: 178165-43-0 Catalog No: AG0025TA MDL No:
Product Description
Catalog Number:
AG0025TA
Chemical Name:
2(3H)-Benzoxazolone, 6-[3-[4-[(4-fluorophenyl)methyl]-1-piperidinyl]-1-oxopropyl]-
CAS Number:
178165-43-0
Molecular Formula:
C22H23FN2O3
Molecular Weight:
382.4280
IUPAC Name:
6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propanoyl]-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C22H23FN2O3/c23-18-4-1-15(2-5-18)13-16-7-10-25(11-8-16)12-9-20(26)17-3-6-19-21(14-17)28-22(27)24-19/h1-6,14,16H,7-13H2,(H,24,27)
InChI Key:
FWYRCNFWCMKNTJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CC1CCN(CC1)CCC(=O)c1ccc2c(c1)oc(=O)[nH]2
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.169g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.435g/mol
Monoisotopic Mass:
382.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Oxamides as novel NR2B selective NMDA receptor antagonists. | Bioorganic & medicinal chemistry letters 20040802 |
| Radiosynthesis and pharmacological evaluation of [11C]EMD-95885: a high affinity ligand for NR2B-containing NMDA receptors. | Bioorganic & medicinal chemistry 20040615 |
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