(1-Methyl-1h-Imidazol-2-Yl)-(3-Methyl-4-{3-[(Pyridin-3-Ylmethyl)-Amino]-Propoxy}-Benzofuran-2-Yl)-Me
dietary supplements, micronutrients, supplements
Thuốc Gốc
Small Molecule
CTHH: C23H24N4O3
PTK: 404.4617
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
404.4617
Monoisotopic mass
404.184840654
InChI
InChI=1S/C23H24N4O3/c1-16-20-18(29-13-5-10-25-15-17-6-4-9-24-14-17)7-3-8-19(20)30-22(16)21(28)23-26-11-12-27(23)2/h3-4,6-9,11-12,14,25H,5,10,13,15H2,1-2H3
InChI Key
InChIKey=VZBQJKIOAOUYJL-UHFFFAOYSA-N
IUPAC Name
[3-({3-methyl-2-[(1-methyl-1H-imidazol-2-yl)carbonyl]-1-benzofuran-4-yl}oxy)propyl](pyridin-3-ylmethyl)amine
Traditional IUPAC Name
[3-({3-methyl-2-[(1-methylimidazol-2-yl)carbonyl]-1-benzofuran-4-yl}oxy)propyl](pyridin-3-ylmethyl)amine
SMILES
CN1C=CN=C1C(=O)C1=C(C)C2=C(O1)C=CC=C2OCCCNCC1=CN=CC=C1
Độ hòa tan
4.25e-02 g/l
logP
2.55
logS
-4
pKa (Strongest Basic)
8.99
PSA
82.18 Å2
Refractivity
114.23 m3·mol-1
Polarizability
44.88 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
4
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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