1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperidin-4-Yl-3,4-Dihydroquinolin-2(1h)-One
Thuốc Gốc
Small Molecule
CTHH: C26H22Cl2F2N2O
PTK: 487.368
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
487.368
Monoisotopic mass
486.10772516
InChI
InChI=1S/C26H22Cl2F2N2O/c27-21-2-1-3-22(28)26(21)32-24-13-16(15-8-10-31-11-9-15)12-20(19(24)6-7-25(32)33)18-5-4-17(29)14-23(18)30/h1-5,12-15,31H,6-11H2
InChI Key
InChIKey=VXIYTVJEIXMAQF-UHFFFAOYSA-N
IUPAC Name
1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-yl)-1,2,3,4-tetrahydroquinolin-2-one
Traditional IUPAC Name
1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-yl)-3,4-dihydroquinolin-2-one
SMILES
FC1=CC=C(C(F)=C1)C1=CC(=CC2=C1CCC(=O)N2C1=C(Cl)C=CC=C1Cl)C1CCNCC1
Độ hòa tan
1.22e-04 g/l
logP
6.28
logS
-6.6
pKa (strongest acidic)
19.58
pKa (Strongest Basic)
10.04
PSA
32.34 Å2
Refractivity
127.68 m3·mol-1
Polarizability
48.3 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
5
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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