5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE
Thuốc Gốc
Small Molecule
CTHH: C18H20Cl2N2O3
PTK: 383.269
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
383.269
Monoisotopic mass
382.08509793
InChI
InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3
InChI Key
InChIKey=JJDHAOLOHQTGMG-UHFFFAOYSA-N
IUPAC Name
5-{5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole
Traditional IUPAC Name
5-{5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole
SMILES
CC1=NOC(CCCCCOC2=C(Cl)C=C(C=C2Cl)C2=NCCO2)=C1
Độ hòa tan
1.12e-02 g/l
logP
4.47
logS
-4.5
pKa (Strongest Basic)
2.77
PSA
56.85 Å2
Refractivity
98.65 m3·mol-1
Polarizability
40.55 Å3
Rotatable Bond Count
8
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
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