6-[(5-CHLORO-3-METHYL-1-BENZOFURAN-2-YL)SULFONYL]PYRIDAZIN-3(2H)-ONE
Thuốc Gốc
Small Molecule
CTHH: C13H9ClN2O4S
PTK: 324.74
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
324.74
Monoisotopic mass
323.997155183
InChI
InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)
InChI Key
InChIKey=FXFPQPNUMWQRAO-UHFFFAOYSA-N
IUPAC Name
6-(5-chloro-3-methyl-1-benzofuran-2-sulfonyl)-2,3-dihydropyridazin-3-one
Traditional IUPAC Name
6-(5-chloro-3-methyl-1-benzofuran-2-sulfonyl)-2H-pyridazin-3-one
SMILES
CC1=C(OC2=CC=C(Cl)C=C12)S(=O)(=O)C1=NNC(=O)C=C1
Độ hòa tan
5.16e-02 g/l
logP
2.23
logS
-3.8
pKa (strongest acidic)
8.5
pKa (Strongest Basic)
-4.7
PSA
88.74 Å2
Refractivity
76.66 m3·mol-1
Polarizability
30.05 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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