Tìm theo
5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
Thuốc Gốc
Small Molecule
CTHH: C20H26N2O3
PTK: 342.432
5-(7-(4-(4,5-dihydro-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. Known drug targets of 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole include genome polyprotein.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H26N2O3
Phân tử khối
342.432
Monoisotopic mass
342.194342708
InChI
InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3
InChI Key
InChIKey=FKLJPTJMIBLJAV-UHFFFAOYSA-N
IUPAC Name
5-{7-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl}-3-methyl-1,2-oxazole
Traditional IUPAC Name
disoxaril
SMILES
CC1=NOC(CCCCCCCOC2=CC=C(C=C2)C2=NCCO2)=C1
Độ hòa tan
1.29e-02 g/l
logP
4.15
logS
-4.4
pKa (Strongest Basic)
3.99
PSA
56.85 Å2
Refractivity
98.24 m3·mol-1
Polarizability
40.53 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/DB08726
ChemSpider
http://www.chemspider.com/Chemical-Structure.50319.html
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