Tìm theo
6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-4-PHENYL-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
Thuốc Gốc
Small Molecule
CTHH: C18H11BrN2O2
PTK: 367.196
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
367.196
Monoisotopic mass
366.000390253
InChI
InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
InChI Key
InChIKey=SVSYJTYGPLVUOZ-UHFFFAOYSA-N
IUPAC Name
6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
Traditional IUPAC Name
6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
SMILES
OC1=C(C=C(Br)C=C1)C1=CC(C2=CC=CC=C2)=C(C#N)C(=O)N1
Độ hòa tan
5.67e-03 g/l
logP
3.11
logS
-4.8
pKa (strongest acidic)
6.87
pKa (Strongest Basic)
-5.4
PSA
73.12 Å2
Refractivity
92.76 m3·mol-1
Polarizability
33.75 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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