2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Thuốc Gốc
Small Molecule
CTHH: C17H14N6O
PTK: 318.3327
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
318.3327
Monoisotopic mass
318.1229091
InChI
InChI=1S/C17H14N6O/c18-16(19)10-6-7-11-12(8-10)21-17(20-11)14-15(24)13(22-23-14)9-4-2-1-3-5-9/h1-8,24H,(H3,18,19)(H,20,21)(H,22,23)
InChI Key
InChIKey=CKSIVONWCYACAP-UHFFFAOYSA-N
IUPAC Name
2-(4-hydroxy-5-phenyl-1H-pyrazol-3-yl)-1H-1,3-benzodiazole-5-carboximidamide
Traditional IUPAC Name
2-(4-hydroxy-5-phenyl-1H-pyrazol-3-yl)-1H-1,3-benzodiazole-5-carboximidamide
SMILES
NC(=N)C1=CC=C2NC(=NC2=C1)C1=NNC(=C1O)C1=CC=CC=C1
Độ hòa tan
3.24e-02 g/l
logP
2.38
logS
-4
pKa (strongest acidic)
6.85
pKa (Strongest Basic)
11
PSA
127.46 Å2
Refractivity
112.05 m3·mol-1
Polarizability
34.56 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
5
H Bond Donor Count
5
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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