4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine
Thuốc Gốc
Small Molecule
CTHH: C19H19FN4O4
PTK: 386.377
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H19FN4O4
Phân tử khối
386.377
Monoisotopic mass
386.139033321
InChI
InChI=1S/C19H19FN4O4/c1-27-17-6-4-13(24(25)26)7-12(17)8-14(16-10-22-19(21)23-16)11-3-5-18(28-2)15(20)9-11/h3-7,9-10,14H,8H2,1-2H3,(H3,21,22,23)/t14-/m0/s1
InChI Key
InChIKey=RFLOFHKRBGKCOB-AWEZNQCLSA-N
IUPAC Name
4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine
Traditional IUPAC Name
4-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine
SMILES
[H][C@@](CC1=CC(=CC=C1OC)[N+]([O-])=O)(C1=CNC(N)=N1)C1=CC=C(OC)C(F)=C1
Độ hòa tan
1.23e-02 g/l
logP
3.56
logS
-4.5
pKa (strongest acidic)
14.64
pKa (Strongest Basic)
8.92
PSA
118.98 Å2
Refractivity
102.24 m3·mol-1
Polarizability
37.68 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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