4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-3-carboxamide
Thuốc Gốc
Small Molecule
CTHH: C21H18F2N2O
PTK: 352.3772
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
352.3772
Monoisotopic mass
352.138719618
InChI
InChI=1S/C21H18F2N2O/c22-18-8-9-19(23)17(11-18)12-20(24)14-6-4-13(5-7-14)15-2-1-3-16(10-15)21(25)26/h1-11,20H,12,24H2,(H2,25,26)/t20-/m1/s1
InChI Key
InChIKey=JYKFWUXBFJJDTP-HXUWFJFHSA-N
IUPAC Name
3-{4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl}benzamide
Traditional IUPAC Name
3-{4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]phenyl}benzamide
SMILES
[H][C@@](N)(CC1=CC(F)=CC=C1F)C1=CC=C(C=C1)C1=CC=CC(=C1)C(N)=O
Độ hòa tan
1.17e-03 g/l
logP
3.96
logS
-5.5
pKa (strongest acidic)
14.64
pKa (Strongest Basic)
9.51
PSA
69.11 Å2
Refractivity
98.22 m3·mol-1
Polarizability
35.67 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
2
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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