Tìm theo
AL5424
Thuốc Gốc
Small Molecule
CTHH: C13H14N2O6S3
PTK: 390.455
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
390.455
Monoisotopic mass
390.00139826
InChI
InChI=1S/C13H14N2O6S3/c1-21-9-4-2-8(3-5-9)15-7-11(16)10-6-12(23(14,17)18)22-13(10)24(15,19)20/h2-6,11,16H,7H2,1H3,(H2,14,17,18)/t11-/m0/s1
InChI Key
InChIKey=ZWTSOJQGEWPWGO-NSHDSACASA-N
IUPAC Name
(4R)-4-hydroxy-2-(4-methoxyphenyl)-1,1-dioxo-2H,3H,4H-1$l^{6},7,2-thieno[3,2-e][1$l^{6},2]thiazine-6-sulfonamide
Traditional IUPAC Name
(4R)-4-hydroxy-2-(4-methoxyphenyl)-1,1-dioxo-3H,4H-1$l^{6},7,2-thieno[3,2-e][1$l^{6},2]thiazine-6-sulfonamide
SMILES
[H][C@]1(O)CN(C2=CC=C(OC)C=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O
Độ hòa tan
5.19e-01 g/l
logP
0.37
logS
-2.9
pKa (strongest acidic)
8.14
pKa (Strongest Basic)
-3.6
PSA
127 Å2
Refractivity
86.35 m3·mol-1
Polarizability
36.82 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
6
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
... loading
... loading