1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One
Thuốc Gốc
Small Molecule
CTHH: C24H20Cl2F2N4O
PTK: 489.345
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
489.345
Monoisotopic mass
488.098223106
InChI
InChI=1S/C24H20Cl2F2N4O/c25-19-2-1-3-20(26)23(19)32-22-12-15(31-8-6-29-7-9-31)11-17(18(22)13-30-24(32)33)16-5-4-14(27)10-21(16)28/h1-5,10-12,29H,6-9,13H2,(H,30,33)
InChI Key
InChIKey=YAWZIQKDHQIHOS-UHFFFAOYSA-N
IUPAC Name
1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperazin-1-yl)-1,2,3,4-tetrahydroquinazolin-2-one
Traditional IUPAC Name
1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperazin-1-yl)-3,4-dihydroquinazolin-2-one
SMILES
FC1=CC=C(C(F)=C1)C1=C2CNC(=O)N(C2=CC(=C1)N1CCNCC1)C1=C(Cl)C=CC=C1Cl
Độ hòa tan
5.92e-03 g/l
logP
5.09
logS
-4.9
pKa (strongest acidic)
15.38
pKa (Strongest Basic)
8.86
PSA
47.61 Å2
Refractivity
126.31 m3·mol-1
Polarizability
47.25 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
5
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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