Tìm theo
5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
Thuốc Gốc
Small Molecule
CTHH: C21H28N2O3
PTK: 356.4586
5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole is a solid. This compound belongs to the phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. 5-(7-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole is known to target genome polyprotein.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H28N2O3
Phân tử khối
356.4586
Monoisotopic mass
356.209992772
InChI
InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3/t17-/m1/s1
InChI Key
InChIKey=NEAZMARKCJKUMF-QGZVFWFLSA-N
IUPAC Name
3-methyl-5-(7-{4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-1,2-oxazole
Traditional IUPAC Name
3-methyl-5-(7-{4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-1,2-oxazole
SMILES
[H][C@@]1(C)COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C=C1
Độ hòa tan
9.85e-03 g/l
logP
4.56
logS
-4.6
pKa (Strongest Basic)
3.73
PSA
56.85 Å2
Refractivity
102.66 m3·mol-1
Polarizability
42.67 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08727
ChemSpider
http://www.chemspider.com/Chemical-Structure.4436876.html
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