N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
Thuốc Gốc
Small Molecule
CTHH: C15H12Br2N2O4
PTK: 444.075
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
444.075
Monoisotopic mass
441.916382176
InChI
InChI=1S/C15H12Br2N2O4/c1-23-10-4-2-8(3-5-10)15(22)19-18-7-9-6-11(16)14(21)12(17)13(9)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+
InChI Key
InChIKey=BMGXNERTVNWBJG-CNHKJKLMSA-N
IUPAC Name
N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
Traditional IUPAC Name
N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
SMILES
COC1=CC=C(C=C1)C(=O)N\N=C\C1=CC(Br)=C(O)C(Br)=C1O
Độ hòa tan
2.51e-02 g/l
logP
3.74
logS
-4.2
pKa (strongest acidic)
6.44
pKa (Strongest Basic)
0.011
PSA
91.15 Å2
Refractivity
93.91 m3·mol-1
Polarizability
36.36 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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