N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE
Thuốc Gốc
Small Molecule
CTHH: C15H14F2N4O2
PTK: 320.2941
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H14F2N4O2
Phân tử khối
320.2941
Monoisotopic mass
320.108482122
InChI
InChI=1S/C15H14F2N4O2/c16-9-1-2-10(17)13-12(9)14(18)21-11(20-13)3-5-19-15(22)8-4-6-23-7-8/h1-2,4,6-7,11,20H,3,5H2,(H2,18,21)(H,19,22)/t11-/m1/s1
InChI Key
InChIKey=BOAUWUUBSXECNL-LLVKDONJSA-N
IUPAC Name
N-{2-[(2R)-4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl]ethyl}furan-3-carboxamide
Traditional IUPAC Name
N-{2-[(2R)-4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl]ethyl}furan-3-carboxamide
SMILES
[H][C@@]1(CCNC(=O)C2=COC=C2)NC2=C(F)C=CC(F)=C2C(N)=N1
Độ hòa tan
1.64e-01 g/l
logP
1.32
logS
-3.3
pKa (strongest acidic)
10.15
pKa (Strongest Basic)
6.1
PSA
92.65 Å2
Refractivity
80.64 m3·mol-1
Polarizability
29.99 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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