N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE
Thuốc Gốc
Small Molecule
CTHH: C15H13ClIN3O2
PTK: 429.64
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
429.64
Monoisotopic mass
428.974097802
InChI
InChI=1S/C15H13ClIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22)
InChI Key
InChIKey=QKGFTDAISIBIBV-UHFFFAOYSA-N
IUPAC Name
N-(4-carbamimidoyl-3-chlorophenyl)-2-hydroxy-3-iodo-5-methylbenzamide
Traditional IUPAC Name
N-(4-carbamimidoyl-3-chlorophenyl)-2-hydroxy-3-iodo-5-methylbenzamide
SMILES
CC1=CC(I)=C(O)C(=C1)C(=O)NC1=CC(Cl)=C(C=C1)C(N)=N
Độ hòa tan
6.30e-03 g/l
logP
3.49
logS
-4.8
pKa (strongest acidic)
7.21
pKa (Strongest Basic)
10.23
PSA
99.2 Å2
Refractivity
108.45 m3·mol-1
Polarizability
36.66 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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