2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTIN
Thuốc Gốc
Small Molecule
CTHH: C25H17Cl2N5O
PTK: 474.341
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
474.341
Monoisotopic mass
473.081015605
InChI
InChI=1S/C25H17Cl2N5O/c1-32-15-30-13-23(32)24(17-7-5-16(11-28)6-8-17)33-14-22-21(10-19(12-29)25(27)31-22)18-3-2-4-20(26)9-18/h2-10,13,15,24H,14H2,1H3/t24-/m1/s1
InChI Key
InChIKey=JVWHVGIRXILXMU-XMMPIXPASA-N
IUPAC Name
2-chloro-5-(3-chlorophenyl)-6-{[(R)-(4-cyanophenyl)(1-methyl-1H-imidazol-5-yl)methoxy]methyl}pyridine-3-carbonitrile
Traditional IUPAC Name
2-chloro-5-(3-chlorophenyl)-6-{[(R)-(4-cyanophenyl)(3-methylimidazol-4-yl)methoxy]methyl}pyridine-3-carbonitrile
SMILES
[H][C@](OCC1=NC(Cl)=C(C=C1C1=CC(Cl)=CC=C1)C#N)(C1=CN=CN1C)C1=CC=C(C=C1)C#N
Độ hòa tan
1.02e-02 g/l
logP
5.03
logS
-4.7
pKa (Strongest Basic)
6.26
PSA
87.52 Å2
Refractivity
128.82 m3·mol-1
Polarizability
47.58 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
5
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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