1-[(2,6-difluorophenyl)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
Thuốc Gốc
Small Molecule
CTHH: C18H18F2N2O6S2
PTK: 460.472
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
460.472
Monoisotopic mass
460.057434108
InChI
InChI=1S/C18H18F2N2O6S2/c19-14-2-1-3-15(20)18(14)30(25,26)22-8-6-21(7-9-22)29(23,24)13-4-5-16-17(12-13)28-11-10-27-16/h1-5,12H,6-11H2
InChI Key
InChIKey=SHWNKRPMUBFWKE-UHFFFAOYSA-N
IUPAC Name
1-[(2,6-difluorobenzene)sulfonyl]-4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazine
Traditional IUPAC Name
1-(2,6-difluorobenzenesulfonyl)-4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazine
SMILES
FC1=CC=CC(F)=C1S(=O)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C2OCCOC2=C1
Độ hòa tan
1.89e-01 g/l
logP
1.51
logS
-3.4
pKa (Strongest Basic)
-4.6
PSA
93.22 Å2
Refractivity
103.47 m3·mol-1
Polarizability
42.49 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
6
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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