4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
Thuốc Gốc
Small Molecule
CTHH: C18H18Br2N2O3
PTK: 470.155
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
470.155
Monoisotopic mass
467.968417746
InChI
InChI=1S/C18H18Br2N2O3/c1-18(2,3)12-6-4-10(5-7-12)17(25)22-21-9-11-8-13(19)16(24)14(20)15(11)23/h4-9,23-24H,1-3H3,(H,22,25)/b21-9+
InChI Key
InChIKey=FVJUELRQTOWYRY-ZVBGSRNCSA-N
IUPAC Name
4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
Traditional IUPAC Name
4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)N\N=C\C1=CC(Br)=C(O)C(Br)=C1O
Độ hòa tan
2.28e-03 g/l
logP
5.44
logS
-5.3
pKa (strongest acidic)
6.44
pKa (Strongest Basic)
0.38
PSA
81.92 Å2
Refractivity
106.11 m3·mol-1
Polarizability
41.48 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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