ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE
Thuốc Gốc
Small Molecule
CTHH: C14H17FN2O3
PTK: 280.2948
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
280.2948
Monoisotopic mass
280.122320625
InChI
InChI=1S/C14H17FN2O3/c1-4-11-13(18)16-10-6-5-9(15)7-12(10)17(11)14(19)20-8(2)3/h5-8,11H,4H2,1-3H3,(H,16,18)/t11-/m0/s1
InChI Key
InChIKey=KELNNWMENBUHNS-NSHDSACASA-N
IUPAC Name
propan-2-yl (2S)-2-ethyl-7-fluoro-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxylate
Traditional IUPAC Name
isopropyl (2S)-2-ethyl-7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
SMILES
[H][C@@]1(CC)N(C(=O)OC(C)C)C2=CC(F)=CC=C2NC1=O
Độ hòa tan
1.62e+00 g/l
logP
2.64
logS
-2.2
pKa (strongest acidic)
12.28
pKa (Strongest Basic)
-3.3
PSA
58.64 Å2
Refractivity
72.37 m3·mol-1
Polarizability
27.61 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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