Tìm theo
5-(7-(5-hydro-4-ethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
Thuốc Gốc
Small Molecule
CTHH: C22H30N2O3
PTK: 370.4852
5-(7-(5-hydro-4-ethyl-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. This substance targets the protein genome polyprotein.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C22H30N2O3
Phân tử khối
370.4852
Monoisotopic mass
370.225642836
InChI
InChI=1S/C22H30N2O3/c1-3-19-16-26-22(23-19)18-10-12-20(13-11-18)25-14-8-6-4-5-7-9-21-15-17(2)24-27-21/h10-13,15,19H,3-9,14,16H2,1-2H3/t19-/m0/s1
InChI Key
InChIKey=PZDSRPCFNWOUFP-IBGZPJMESA-N
IUPAC Name
5-(7-{4-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-3-methyl-1,2-oxazole
Traditional IUPAC Name
5-(7-{4-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-3-methyl-1,2-oxazole
SMILES
[H][C@]1(CC)COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C=C1
Độ hòa tan
7.71e-03 g/l
logP
5.09
logS
-4.7
pKa (Strongest Basic)
3.72
PSA
56.85 Å2
Refractivity
107.18 m3·mol-1
Polarizability
44.57 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
3
Bioavailability
0
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08725
ChemSpider
http://www.chemspider.com/Chemical-Structure.2340028.html
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