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304025-53-4 | AcetaMide, N-[2-[3,4-dihydro-7-[[[(3R,4R)-4-[4-[3-[(2-Methoxyphenyl)Methoxy]propoxy]phenyl]-3-piperidinyl]oxy]Methyl]-1(2H)-quinolinyl]ethyl]-
CAS No: 304025-53-4 Catalog No: AG00BK2T MDL No:
Product Description
Catalog Number:
AG00BK2T
Chemical Name:
AcetaMide, N-[2-[3,4-dihydro-7-[[[(3R,4R)-4-[4-[3-[(2-Methoxyphenyl)Methoxy]propoxy]phenyl]-3-piperidinyl]oxy]Methyl]-1(2H)-quinolinyl]ethyl]-
CAS Number:
304025-53-4
IUPAC Name:
N-[2-[7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide
InChI:
InChI=1S/C36H47N3O5/c1-27(40)38-18-20-39-19-5-8-30-11-10-28(23-34(30)39)25-44-36-24-37-17-16-33(36)29-12-14-32(15-13-29)43-22-6-21-42-26-31-7-3-4-9-35(31)41-2/h3-4,7,9-15,23,33,36-37H,5-6,8,16-22,24-26H2,1-2H3,(H,38,40)/t33-,36+/m1/s1
InChI Key:
YKAHCPSTICMMFK-ILFWFZRHSA-N
Properties
Complexity:
824
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
601.352g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
601.788g/mol
Monoisotopic Mass:
601.352g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Design and preparation of potent, nonpeptidic, bioavailable renin inhibitors. | Journal of medicinal chemistry 20090625 |
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