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Home > Fluorides > 120072-08-4
120072-08-4 | Propanamide, N-(2-fluorophenyl)-N-[4-(4-methyl-2-thiazolyl)-1-[2-(3-thienyl)ethyl]-4-piperidinyl]-
CAS No: 120072-08-4 Catalog No: AG000Q8T MDL No:
Product Description
Catalog Number:
AG000Q8T
Chemical Name:
Propanamide, N-(2-fluorophenyl)-N-[4-(4-methyl-2-thiazolyl)-1-[2-(3-thienyl)ethyl]-4-piperidinyl]-
CAS Number:
120072-08-4
Molecular Formula:
C24H28FN3OS2
Molecular Weight:
457.6270
IUPAC Name:
N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-thiophen-3-ylethyl)piperidin-4-yl]propanamide
InChI:
InChI=1S/C24H28FN3OS2/c1-3-22(29)28(21-7-5-4-6-20(21)25)24(23-26-18(2)16-31-23)10-13-27(14-11-24)12-8-19-9-15-30-17-19/h4-7,9,15-17H,3,8,10-14H2,1-2H3
InChI Key:
ILNHBOIRJNOOJT-UHFFFAOYSA-N
SMILES:
CCC(=O)N(C1(CCN(CC1)CCc1ccsc1)c1scc(n1)C)c1ccccc1F
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.166g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
457.626g/mol
Monoisotopic Mass:
457.166g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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