3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl}-N,4-dimethylbenzamide
Thuốc Gốc
Small Molecule
CTHH: C22H19BrF2N2O3
PTK: 477.299
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
477.299
Monoisotopic mass
476.054711541
InChI
InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
InChI Key
InChIKey=KCAJXIDMCNPGHZ-UHFFFAOYSA-N
IUPAC Name
3-{3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1,2-dihydropyridin-1-yl}-N,4-dimethylbenzamide
Traditional IUPAC Name
3-{3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl}-N,4-dimethylbenzamide
SMILES
CNC(=O)C1=CC=C(C)C(=C1)N1C(C)=CC(OCC2=C(F)C=C(F)C=C2)=C(Br)C1=O
Độ hòa tan
3.21e-03 g/l
logP
4.24
logS
-5.2
pKa (strongest acidic)
14.79
pKa (Strongest Basic)
-0.94
PSA
58.64 Å2
Refractivity
116.85 m3·mol-1
Polarizability
43.79 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
H Bond Donor Count
1
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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