3-{[(3-FLUORO-3'-METHOXYBIPHENYL-4-YL)AMINO]CARBONYL}THIOPHENE-2-CARBOXYLIC ACID
Thuốc Gốc
Small Molecule
CTHH: C19H14FNO4S
PTK: 371.382
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
371.382
Monoisotopic mass
371.062756836
InChI
InChI=1S/C19H14FNO4S/c1-25-13-4-2-3-11(9-13)12-5-6-16(15(20)10-12)21-18(22)14-7-8-26-17(14)19(23)24/h2-10H,1H3,(H,21,22)(H,23,24)
InChI Key
InChIKey=GIUMGVUBDBDTDX-UHFFFAOYSA-N
IUPAC Name
3-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}thiophene-2-carboxylic acid
Traditional IUPAC Name
3-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}thiophene-2-carboxylic acid
SMILES
COC1=CC=CC(=C1)C1=CC=C(NC(=O)C2=C(SC=C2)C(O)=O)C(F)=C1
Độ hòa tan
1.85e-03 g/l
logP
4.27
logS
-5.3
pKa (strongest acidic)
3.17
pKa (Strongest Basic)
-4.5
PSA
75.63 Å2
Refractivity
97.55 m3·mol-1
Polarizability
36.96 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
4
H Bond Donor Count
2
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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