N-Methyl-N-[3-(6-Phenyl[1,2,4]Triazolo[4,3-B]Pyridazin-3-Yl)Phenyl]Acetamide
Thuốc Gốc
Small Molecule
CTHH: C20H17N5O
PTK: 343.3819
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
343.3819
Monoisotopic mass
343.143310191
InChI
InChI=1S/C20H17N5O/c1-14(26)24(2)17-10-6-9-16(13-17)20-22-21-19-12-11-18(23-25(19)20)15-7-4-3-5-8-15/h3-13H,1-2H3
InChI Key
InChIKey=ALBWBHNFOJJMCV-UHFFFAOYSA-N
IUPAC Name
N-methyl-N-(3-{6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}phenyl)acetamide
Traditional IUPAC Name
N-methyl-N-(3-{6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}phenyl)acetamide
SMILES
CN(C(C)=O)C1=CC=CC(=C1)C1=NN=C2C=CC(=NN12)C1=CC=CC=C1
Độ hòa tan
2.45e-02 g/l
logP
2.85
logS
-4.2
pKa (Strongest Basic)
1.36
PSA
63.39 Å2
Refractivity
121.83 m3·mol-1
Polarizability
36.51 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
0
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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