Tìm theo
2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE
Thuốc Gốc
Small Molecule
CTHH: C14H22N2O3
PTK: 266.3361
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
266.3361
Monoisotopic mass
266.16304258
InChI
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1
InChI Key
InChIKey=METKIMKYRPQLGS-GFCCVEGCSA-N
IUPAC Name
2-{4-[(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy]phenyl}acetamide
Traditional IUPAC Name
atenolol
SMILES
[H][C@@](O)(CNC(C)C)COC1=CC=C(CC(N)=O)C=C1
Độ hòa tan
4.29e-01 g/l
logP
0.43
logS
-2.8
pKa (strongest acidic)
14.08
pKa (Strongest Basic)
9.67
PSA
84.58 Å2
Refractivity
73.51 m3·mol-1
Polarizability
29.98 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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