Tìm theo
5-(7-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
Thuốc Gốc
Small Molecule
CTHH: C21H27ClN2O3
PTK: 390.904
5-(7-(6-chloro-4-(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-(6-chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole targets the protein genome polyprotein.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H27ClN2O3
Phân tử khối
390.904
Monoisotopic mass
390.171020447
InChI
InChI=1S/C21H27ClN2O3/c1-15-12-18(27-24-15)8-6-4-3-5-7-11-25-20-10-9-17(13-19(20)22)21-23-16(2)14-26-21/h9-10,12-13,16H,3-8,11,14H2,1-2H3/t16-/m0/s1
InChI Key
InChIKey=WOJFAPUTPSWFLJ-INIZCTEOSA-N
IUPAC Name
5-(7-{2-chloro-4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-3-methyl-1,2-oxazole
Traditional IUPAC Name
5-(7-{2-chloro-4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-3-methyl-1,2-oxazole
SMILES
[H][C@]1(C)COC(=N1)C1=CC=C(OCCCCCCCC2=CC(C)=NO2)C(Cl)=C1
Độ hòa tan
7.16e-03 g/l
logP
5.17
logS
-4.7
pKa (Strongest Basic)
3.06
PSA
56.85 Å2
Refractivity
107.46 m3·mol-1
Polarizability
44.71 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
3
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08722
ChemSpider
http://www.chemspider.com/Chemical-Structure.4451502.html
... loading
... loading