4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMI
Thuốc Gốc
Small Molecule
CTHH: C16H14N2O4S2
PTK: 362.423
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
362.423
Monoisotopic mass
362.039498326
InChI
InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9-
InChI Key
InChIKey=MXAPQGDBWFYKKX-ZROIWOOFSA-N
IUPAC Name
4-methyl-N-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]benzene-1-sulfonamide
Traditional IUPAC Name
4-methyl-N-[(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]benzenesulfonamide
SMILES
CC1=CC=C(O1)\C=C1/SC(NS(=O)(=O)C2=CC=C(C)C=C2)=NC1=O
Độ hòa tan
4.35e-02 g/l
logP
2.78
logS
-3.9
pKa (strongest acidic)
9.98
pKa (Strongest Basic)
-2.7
PSA
88.74 Å2
Refractivity
93.98 m3·mol-1
Polarizability
35.52 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
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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