(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxim
Thuốc Gốc
Small Molecule
CTHH: C25H19FN2O4
PTK: 430.4278
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
430.4278
Monoisotopic mass
430.132885311
InChI
InChI=1S/C25H19FN2O4/c26-20-11-18(24-19(12-20)14-31-15-32-24)13-28-21-8-4-7-17(22(21)23(27-30)25(28)29)10-9-16-5-2-1-3-6-16/h1-12,30H,13-15H2/b10-9+,27-23-
InChI Key
InChIKey=DDHASJXGNUWZTM-ZLEWNXFRSA-N
IUPAC Name
(3Z)-1-[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]-3-(hydroxyimino)-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-2-one
Traditional IUPAC Name
(3Z)-1-[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]-3-(hydroxyimino)-4-[(E)-2-phenylethenyl]indol-2-one
SMILES
O\N=C1/C(=O)N(CC2=C3OCOCC3=CC(F)=C2)C2=CC=CC(\C=C\C3=CC=CC=C3)=C12
Độ hòa tan
3.88e-03 g/l
logP
4.69
logS
-5
pKa (strongest acidic)
5.66
pKa (Strongest Basic)
-3.7
PSA
71.36 Å2
Refractivity
118.57 m3·mol-1
Polarizability
43.7 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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