6-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Thuốc Gốc
Small Molecule
CTHH: C18H19FN4O2
PTK: 342.3675
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
342.3675
Monoisotopic mass
342.149204077
InChI
InChI=1S/C18H19FN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)
InChI Key
InChIKey=NSUDDASMRZSVON-UHFFFAOYSA-N
IUPAC Name
6-fluoro-2-[2-hydroxy-3-(2-methylpropoxy)phenyl]-1H-1,3-benzodiazole-5-carboximidamide
Traditional IUPAC Name
6-fluoro-2-[2-hydroxy-3-(2-methylpropoxy)phenyl]-1H-1,3-benzodiazole-5-carboximidamide
SMILES
CC(C)COC1=C(O)C(=CC=C1)C1=NC2=CC(C(N)=N)=C(F)C=C2N1
Độ hòa tan
1.82e-02 g/l
logP
2.8
logS
-4.3
pKa (strongest acidic)
9.29
pKa (Strongest Basic)
8.59
PSA
108.01 Å2
Refractivity
114.15 m3·mol-1
Polarizability
36.49 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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