N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE
Thuốc Gốc
Small Molecule
CTHH: C18H15N5
PTK: 301.3452
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
301.3452
Monoisotopic mass
301.132745505
InChI
InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
InChI Key
InChIKey=JYCUVOXSZBECAY-UHFFFAOYSA-N
IUPAC Name
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
Traditional IUPAC Name
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
SMILES
CC1=CC(NC2=C3C=CC=CC3=NC(=N2)C2=CC=CC=C2)=NN1
Độ hòa tan
1.57e-02 g/l
logP
4.8
logS
-4.3
pKa (strongest acidic)
11.96
pKa (Strongest Basic)
4
PSA
66.49 Å2
Refractivity
102.16 m3·mol-1
Polarizability
33.54 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
2
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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