5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE
Thuốc Gốc
Small Molecule
CTHH: C12H9ClN2O3S2
PTK: 328.794
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
328.794
Monoisotopic mass
327.974311251
InChI
InChI=1S/C12H9ClN2O3S2/c13-11-9(15-6-10(16)14-20(15,17)18)7-19-12(11)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,16)
InChI Key
InChIKey=LCPRWBWCEGWNKF-UHFFFAOYSA-N
IUPAC Name
5-(4-chloro-5-phenylthiophen-3-yl)-1$l^{6},2,5-thiadiazolidine-1,1,3-trione
Traditional IUPAC Name
5-(4-chloro-5-phenylthiophen-3-yl)-1$l^{6},2,5-thiadiazolidine-1,1,3-trione
SMILES
ClC1=C(SC=C1N1CC(=O)NS1(=O)=O)C1=CC=CC=C1
Độ hòa tan
3.09e-02 g/l
logP
1.83
logS
-4
pKa (strongest acidic)
3.78
pKa (Strongest Basic)
-4.6
PSA
66.48 Å2
Refractivity
76.25 m3·mol-1
Polarizability
30.41 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
H Bond Donor Count
1
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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