[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid
Thuốc Gốc
Small Molecule
CTHH: C22H18BrF2O4P
PTK: 495.25
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C22H18BrF2O4P
Phân tử khối
495.25
Monoisotopic mass
494.009414633
InChI
InChI=1S/C22H18BrF2O4P/c23-20-14-15(11-12-19(20)22(24,25)30(27,28)29)13-18(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H2,27,28,29)/t18-/m1/s1
InChI Key
InChIKey=WDTMVBQZDFMOIK-GOSISDBHSA-N
IUPAC Name
({2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}difluoromethyl)phosphonic acid
Traditional IUPAC Name
{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}difluoromethylphosphonic acid
SMILES
[H][C@](CC1=CC(Br)=C(C=C1)C(F)(F)P(O)(O)=O)(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Độ hòa tan
5.07e-04 g/l
logP
5.46
logS
-6
pKa (strongest acidic)
0.49
pKa (Strongest Basic)
-7.6
PSA
74.6 Å2
Refractivity
114.8 m3·mol-1
Polarizability
42.36 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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