N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID
Thuốc Gốc
Small Molecule
CTHH: C23H20N4O2
PTK: 384.4305
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
384.4305
Monoisotopic mass
384.158625904
InChI
InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27)
InChI Key
InChIKey=KGHMYJFHUHFOGL-UHFFFAOYSA-N
IUPAC Name
2-[(Z)-{[(4-cyanophenyl)amino][(diphenylmethyl)amino]methylidene}amino]acetic acid
Traditional IUPAC Name
[(Z)-{[(4-cyanophenyl)amino][(diphenylmethyl)amino]methylidene}amino]acetic acid
SMILES
OC(=O)C\N=C(\NC(C1=CC=CC=C1)C1=CC=CC=C1)NC1=CC=C(C=C1)C#N
Độ hòa tan
7.28e-03 g/l
logP
2.65
logS
-4.7
pKa (strongest acidic)
2.97
pKa (Strongest Basic)
9.49
PSA
97.51 Å2
Refractivity
112.15 m3·mol-1
Polarizability
41.16 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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