(1S)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID
Thuốc Gốc
Small Molecule
CTHH: C17H22NO6PS
PTK: 399.398
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
399.398
Monoisotopic mass
399.090544643
InChI
InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1
InChI Key
InChIKey=BZVYQWLRCHLAGK-KRWDZBQOSA-N
IUPAC Name
[(1S)-1-{[4-(4-methoxyphenyl)benzene]sulfonamido}-2-methylpropyl]phosphonic acid
Traditional IUPAC Name
(1S)-1-[4-(4-methoxyphenyl)benzenesulfonamido]-2-methylpropylphosphonic acid
SMILES
[H][C@@](NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(OC)C=C1)(C(C)C)P(O)(O)=O
Độ hòa tan
4.61e-01 g/l
logP
2.43
logS
-2.9
pKa (strongest acidic)
1.48
pKa (Strongest Basic)
-4.8
PSA
112.93 Å2
Refractivity
98.92 m3·mol-1
Polarizability
38.92 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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