4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE
Thuốc Gốc
Small Molecule
CTHH: C21H16IN3OS
PTK: 485.341
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
485.341
Monoisotopic mass
485.005876259
InChI
InChI=1S/C21H16IN3OS/c1-27(26)18-7-5-15(6-8-18)21-24-19(14-9-11-23-12-10-14)20(25-21)16-3-2-4-17(22)13-16/h2-13H,1H3,(H,24,25)/t27-/m1/s1
InChI Key
InChIKey=RXDZANYWRNIAOR-HHHXNRCGSA-N
IUPAC Name
4-[5-(3-iodophenyl)-2-{4-[(R)-methanesulfinyl]phenyl}-1H-imidazol-4-yl]pyridine
Traditional IUPAC Name
4-[5-(3-iodophenyl)-2-{4-[(R)-methanesulfinyl]phenyl}-1H-imidazol-4-yl]pyridine
SMILES
C[S@@](=O)C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC(I)=CC=C1)C1=CC=NC=C1
Độ hòa tan
2.08e-02 g/l
logP
3.92
logS
-4.4
pKa (strongest acidic)
11.8
pKa (Strongest Basic)
4.89
PSA
58.64 Å2
Refractivity
129.46 m3·mol-1
Polarizability
45.36 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
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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