(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime
Thuốc Gốc
Small Molecule
CTHH: C20H18FN5O
PTK: 363.3882
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H18FN5O
Phân tử khối
363.3882
Monoisotopic mass
363.149538428
InChI
InChI=1S/C20H18FN5O/c1-11-19-17(25-20(22)24-11)7-13(8-18(19)26-27)15-5-4-14(21)9-16(15)12-3-2-6-23-10-12/h2-6,9-10,13,27H,7-8H2,1H3,(H2,22,24,25)/b26-18+/t13-/m0/s1
InChI Key
InChIKey=KYIXUSLGFINPTC-WVFAEZDRSA-N
IUPAC Name
(5E,7S)-7-[4-fluoro-2-(pyridin-3-yl)phenyl]-5-(hydroxyimino)-4-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
Traditional IUPAC Name
(5E,7S)-7-[4-fluoro-2-(pyridin-3-yl)phenyl]-5-(hydroxyimino)-4-methyl-7,8-dihydro-6H-quinazolin-2-amine
SMILES
[H][C@]1(C\C(=N/O)C2=C(C1)N=C(N)N=C2C)C1=CC=C(F)C=C1C1=CC=CN=C1
Độ hòa tan
1.77e-02 g/l
logP
2.22
logS
-4.3
pKa (strongest acidic)
10
pKa (Strongest Basic)
4.91
PSA
97.28 Å2
Refractivity
101.47 m3·mol-1
Polarizability
37.12 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
6
H Bond Donor Count
2
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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