3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide
Thuốc Gốc
Small Molecule
CTHH: C19H17Br2NO5S
PTK: 531.215
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H17Br2NO5S
Phân tử khối
531.215
Monoisotopic mass
528.919418643
InChI
InChI=1S/C19H17Br2NO5S/c1-4-15-17(18(23)10-7-13(20)19(24)14(21)8-10)12-6-5-11(9-16(12)27-15)28(25,26)22(2)3/h5-9,24H,4H2,1-3H3
InChI Key
InChIKey=FEYGJZKVMASWJB-UHFFFAOYSA-N
IUPAC Name
3-[(3,5-dibromo-4-hydroxyphenyl)carbonyl]-2-ethyl-N,N-dimethyl-1-benzofuran-6-sulfonamide
Traditional IUPAC Name
3-[(3,5-dibromo-4-hydroxyphenyl)carbonyl]-2-ethyl-N,N-dimethyl-1-benzofuran-6-sulfonamide
SMILES
CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)N(C)C
Độ hòa tan
1.29e-02 g/l
logP
4.6
logS
-4.6
pKa (strongest acidic)
5.11
pKa (Strongest Basic)
-4.4
PSA
87.82 Å2
Refractivity
114.33 m3·mol-1
Polarizability
46.39 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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