Tìm theo
6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL
Thuốc Gốc
Small Molecule
CTHH: C9H13BN2O3S2
PTK: 272.152
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
272.152
Monoisotopic mass
272.046064138
InChI
InChI=1S/C9H13BN2O3S2/c1-3-4-17(14,15)12-10(13)8-5-7(2)16-9(8)6-11-12/h5-6,13H,3-4H2,1-2H3
InChI Key
InChIKey=TVXLILKNSPCVRB-UHFFFAOYSA-N
IUPAC Name
6-methyl-2-(propane-1-sulfonyl)-1H,2H-thieno[3,2-d][1,2,3]diazaborinin-1-ol
Traditional IUPAC Name
6-methyl-2-(propane-1-sulfonyl)thieno[3,2-d][1,2,3]diazaborinin-1-ol
SMILES
CCCS(=O)(=O)N1N=CC2=C(C=C(C)S2)B1O
Độ hòa tan
1.15e-01 g/l
logP
1.7
logS
-3.4
pKa (strongest acidic)
6.09
pKa (Strongest Basic)
1.24
PSA
72.19 Å2
Refractivity
62.85 m3·mol-1
Polarizability
27.33 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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