Tìm theo
5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole
Thuốc Gốc
Small Molecule
CTHH: C16H16Cl2N2O3
PTK: 355.216
5-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-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-(3-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)propyl)-3-methyl isoxazole include genome polyprotein.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H16Cl2N2O3
Phân tử khối
355.216
Monoisotopic mass
354.053797802
InChI
InChI=1S/C16H16Cl2N2O3/c1-10-7-12(23-20-10)3-2-5-21-15-13(17)8-11(9-14(15)18)16-19-4-6-22-16/h7-9H,2-6H2,1H3
InChI Key
InChIKey=TUGBWRGTMLOFAX-UHFFFAOYSA-N
IUPAC Name
5-{3-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]propyl}-3-methyl-1,2-oxazole
Traditional IUPAC Name
5-{3-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]propyl}-3-methyl-1,2-oxazole
SMILES
CC1=NOC(CCCOC2=C(Cl)C=C(C=C2Cl)C2=NCCO2)=C1
Độ hòa tan
2.12e-02 g/l
logP
3.58
logS
-4.2
pKa (Strongest Basic)
2.66
PSA
56.85 Å2
Refractivity
89.44 m3·mol-1
Polarizability
36.32 Å3
Rotatable Bond Count
6
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/DB08728
ChemSpider
http://www.chemspider.com/Chemical-Structure.114711.html
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