(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime
Thuốc Gốc
Small Molecule
CTHH: C17H12F2N2O4
PTK: 346.285
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H12F2N2O4
Phân tử khối
346.285
Monoisotopic mass
346.076513292
InChI
InChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,23H,6-8H2/b20-15+
InChI Key
InChIKey=DXIHOIDYHQSQKJ-HMMYKYKNSA-N
IUPAC Name
(3E)-5-fluoro-1-[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]-3-(hydroxyimino)-2,3-dihydro-1H-indol-2-one
Traditional IUPAC Name
(3E)-5-fluoro-1-[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]-3-(hydroxyimino)indol-2-one
SMILES
O\N=C1\C(=O)N(CC2=C3OCOCC3=CC(F)=C2)C2=CC=C(F)C=C12
Độ hòa tan
4.46e-02 g/l
logP
2.49
logS
-3.9
pKa (strongest acidic)
5.64
pKa (Strongest Basic)
-3.8
PSA
71.36 Å2
Refractivity
83.33 m3·mol-1
Polarizability
31.01 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
-1
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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