5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE
Thuốc Gốc
Small Molecule
CTHH: C24H23N3O4
PTK: 417.4571
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
417.4571
Monoisotopic mass
417.168856239
InChI
InChI=1S/C24H23N3O4/c1-15-4-6-17(7-5-15)22(28)25-21-13-19(12-20(14-21)24(30)27(2)3)16-8-10-18(11-9-16)23(29)26-31/h4-14,31H,1-3H3,(H,25,28)(H,26,29)
InChI Key
InChIKey=DOPFUKKMSDUVTQ-UHFFFAOYSA-N
IUPAC Name
5-[4-(hydroxycarbamoyl)phenyl]-1-N,1-N-dimethyl-3-C-(4-methylbenzene)benzene-1,3-dicarboxamide
Traditional IUPAC Name
5-[4-(hydroxycarbamoyl)phenyl]-1-N,1-N-dimethyl-3-C-(4-methylbenzene)benzene-1,3-dicarboxamide
SMILES
CN(C)C(=O)C1=CC(=CC(NC(=O)C2=CC=C(C)C=C2)=C1)C1=CC=C(C=C1)C(=O)NO
Độ hòa tan
2.15e-03 g/l
logP
3.37
logS
-5.3
pKa (strongest acidic)
9.61
pKa (Strongest Basic)
-0.86
PSA
98.74 Å2
Refractivity
121.48 m3·mol-1
Polarizability
46.1 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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