{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
Thuốc Gốc
Small Molecule
CTHH: C17H11F3N4O2
PTK: 360.29
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
360.29
Monoisotopic mass
360.083410231
InChI
InChI=1S/C17H11F3N4O2/c18-9-4-6-10(7-5-9)22-17(26)15-13(8-21-24-15)23-16(25)14-11(19)2-1-3-12(14)20/h1-8H,(H,21,24)(H,22,26)(H,23,25)
InChI Key
InChIKey=BDRDBXXWQDFXEC-UHFFFAOYSA-N
IUPAC Name
4-C-(2,6-difluorobenzene)-3-N-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxamide
Traditional IUPAC Name
4-C-(2,6-difluorobenzene)-3-N-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxamide
SMILES
FC1=CC=C(NC(=O)C2=NNC=C2NC(=O)C2=C(F)C=CC=C2F)C=C1
Độ hòa tan
4.35e-03 g/l
logP
3.28
logS
-4.9
pKa (strongest acidic)
9.22
pKa (Strongest Basic)
-0.82
PSA
86.88 Å2
Refractivity
91.09 m3·mol-1
Polarizability
31.06 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
3
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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