4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
Thuốc Gốc
Small Molecule
CTHH: C17H13FN2O3S
PTK: 344.36
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
344.36
Monoisotopic mass
344.063091187
InChI
InChI=1S/C17H13FN2O3S/c1-9-6-10(2-5-13(9)18)14-8-24-17(20-14)19-11-3-4-12(16(22)23)15(21)7-11/h2-8,21H,1H3,(H,19,20)(H,22,23)
InChI Key
InChIKey=LKZZDHKJFDTYCH-UHFFFAOYSA-N
IUPAC Name
4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
Traditional IUPAC Name
4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid
SMILES
CC1=CC(=CC=C1F)C1=CSC(NC2=CC=C(C(O)=O)C(O)=C2)=N1
Độ hòa tan
5.91e-03 g/l
logP
5.18
logS
-4.8
pKa (strongest acidic)
3.39
pKa (Strongest Basic)
2.38
PSA
82.45 Å2
Refractivity
88.48 m3·mol-1
Polarizability
34.21 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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