Tìm theo
SC45647
Thuốc Gốc
Small Molecule
CTHH: C18H26N4O2
PTK: 330.4246
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H26N4O2
Phân tử khối
330.4246
Monoisotopic mass
330.205576096
InChI
InChI=1S/C18H26N4O2/c1-13(15-5-3-2-4-6-15)21-18(20-12-17(23)24)22-16-9-7-14(11-19)8-10-16/h2-10,13,17-18,20-24H,11-12,19H2,1H3/t13-,18-/m1/s1
InChI Key
InChIKey=LPSXGZAUAOMRNU-FZKQIMNGSA-N
IUPAC Name
2-{[(R)-{[4-(aminomethyl)phenyl]amino}({[(1R)-1-phenylethyl]amino})methyl]amino}ethane-1,1-diol
Traditional IUPAC Name
2-{[(R)-{[4-(aminomethyl)phenyl]amino}({[(1R)-1-phenylethyl]amino})methyl]amino}ethane-1,1-diol
SMILES
C[C@@H](N[C@@H](NCC(O)O)NC1=CC=C(CN)C=C1)C1=CC=CC=C1
Độ hòa tan
2.74e-01 g/l
logP
1.64
logS
-3.1
pKa (strongest acidic)
12.19
pKa (Strongest Basic)
9.62
PSA
102.57 Å2
Refractivity
96.77 m3·mol-1
Polarizability
36.58 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
6
H Bond Donor Count
6
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Ghose Filter
true
... loading
... loading