Tìm theo
3-[Isopropyl(4-Methylbenzoyl)Amino]-5-Phenylthiophene-2-Carboxylic Acid
Thuốc Gốc
Small Molecule
CTHH: C22H21NO3S
PTK: 379.472
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
379.472
Monoisotopic mass
379.124214233
InChI
InChI=1S/C22H21NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,25,26)
InChI Key
InChIKey=LRHXIDOGMBZJFN-UHFFFAOYSA-N
IUPAC Name
5-phenyl-3-[N-(propan-2-yl)(4-methylbenzene)amido]thiophene-2-carboxylic acid
Traditional IUPAC Name
3-[N-isopropyl(4-methylbenzene)amido]-5-phenylthiophene-2-carboxylic acid
SMILES
CC(C)N(C(=O)C1=CC=C(C)C=C1)C1=C(SC(=C1)C1=CC=CC=C1)C(O)=O
Độ hòa tan
1.09e-03 g/l
logP
5.43
logS
-5.5
pKa (strongest acidic)
3.56
pKa (Strongest Basic)
-2.9
PSA
57.61 Å2
Refractivity
107.98 m3·mol-1
Polarizability
40.7 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Ghose Filter
true
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