4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
Thuốc Gốc
Small Molecule
CTHH: C21H16FN3OS
PTK: 377.435
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H16FN3OS
Phân tử khối
377.435
Monoisotopic mass
377.099811044
InChI
InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)/t27-/m1/s1
InChI Key
InChIKey=CDMGBJANTYXAIV-HHHXNRCGSA-N
IUPAC Name
4-[4-(4-fluorophenyl)-2-{4-[(R)-methanesulfinyl]phenyl}-1H-imidazol-5-yl]pyridine
Traditional IUPAC Name
4-[5-(4-fluorophenyl)-2-{4-[(R)-methanesulfinyl]phenyl}-3H-imidazol-4-yl]pyridine
SMILES
C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=NC=C1)C1=CC=C(F)C=C1
Độ hòa tan
3.84e-02 g/l
logP
3.14
logS
-4
pKa (strongest acidic)
11.91
pKa (Strongest Basic)
5.16
PSA
58.64 Å2
Refractivity
116.31 m3·mol-1
Polarizability
40 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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