4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one
Thuốc Gốc
Small Molecule
CTHH: C17H14N2O2
PTK: 278.3053
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H14N2O2
Phân tử khối
278.3053
Monoisotopic mass
278.105527702
InChI
InChI=1S/C17H14N2O2/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12/h2-9,20H,10H2,1H3
InChI Key
InChIKey=AZXKZZMGLACNIJ-UHFFFAOYSA-N
IUPAC Name
4-(4-hydroxy-3-methylphenyl)-6-phenyl-2,5-dihydropyrimidin-2-one
Traditional IUPAC Name
4-(4-hydroxy-3-methylphenyl)-6-phenyl-5H-pyrimidin-2-one
SMILES
CC1=CC(=CC=C1O)C1=NC(=O)N=C(C1)C1=CC=CC=C1
Độ hòa tan
1.29e-02 g/l
logP
3.18
logS
-4.3
pKa (strongest acidic)
9
pKa (Strongest Basic)
-2.1
PSA
62.02 Å2
Refractivity
80.7 m3·mol-1
Polarizability
30.11 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
4
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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