Tìm theo
5-n-undecyl-6-hydroxy-4,7-dioxobenzothiazole
Các tên gọi khác (4 ) :
  • 3-undecyl-2-hydroxydioxobenzothiazol
  • 6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione
  • 6-Hydroxy-5-undecyl-4,7-benzothiazoledione
  • UHDBT
Thuốc Gốc
Small Molecule
CAS: 43152-58-5
CTHH: C18H25NO3S
PTK: 335.461
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
335.461
Monoisotopic mass
335.155514361
InChI
InChI=1S/C18H25NO3S/c1-2-3-4-5-6-7-8-9-10-11-13-15(20)14-18(23-12-19-14)17(22)16(13)21/h12,21H,2-11H2,1H3
InChI Key
InChIKey=QCWGBMWYLYKEIU-UHFFFAOYSA-N
IUPAC Name
6-hydroxy-5-undecyl-4,7-dihydro-1,3-benzothiazole-4,7-dione
Traditional IUPAC Name
6-hydroxy-5-undecyl-1,3-benzothiazole-4,7-dione
SMILES
CCCCCCCCCCCC1=C(O)C(=O)C2=C(N=CS2)C1=O
Độ hòa tan
1.86e-03 g/l
logP
4.99
logS
-5.3
pKa (strongest acidic)
6.88
pKa (Strongest Basic)
-0.81
PSA
67.26 Å2
Refractivity
93.14 m3·mol-1
Polarizability
38.64 Å3
Rotatable Bond Count
10
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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