(E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
Thuốc Gốc
Small Molecule
CTHH: C21H14F2N2O2
PTK: 364.3449
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H14F2N2O2
Phân tử khối
364.3449
Monoisotopic mass
364.102334112
InChI
InChI=1S/C21H14F2N2O2/c1-27-16-4-2-3-12(9-16)20(26)18-11-25-21-19(18)17(5-6-24-21)13-7-14(22)10-15(23)8-13/h2-11,26H,1H3/b20-18-
InChI Key
InChIKey=HQMUBYFTZASKLP-ZZEZOPTASA-N
IUPAC Name
[(3E)-4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
Traditional IUPAC Name
[(3E)-4-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
SMILES
COC1=CC(=CC=C1)C(\O)=C1/C=NC2=NC=CC(=C12)C1=CC(F)=CC(F)=C1
Độ hòa tan
4.52e-03 g/l
logP
4.23
logS
-4.9
pKa (strongest acidic)
7.06
pKa (Strongest Basic)
0.92
PSA
54.71 Å2
Refractivity
101.36 m3·mol-1
Polarizability
35.38 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
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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