N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide
Thuốc Gốc
Small Molecule
CTHH: C20H14N6O2
PTK: 370.3642
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
370.3642
Monoisotopic mass
370.117823722
InChI
InChI=1S/C20H14N6O2/c27-20(17-5-2-8-28-17)23-14-4-1-3-12(9-14)18-15-10-13(19-21-11-22-26-19)6-7-16(15)24-25-18/h1-11H,(H,23,27)(H,24,25)(H,21,22,26)
InChI Key
InChIKey=LMDMJDCLPIVGQD-UHFFFAOYSA-N
IUPAC Name
N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide
Traditional IUPAC Name
N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide
SMILES
O=C(NC1=CC(=CC=C1)C1=NNC2=CC=C(C=C12)C1=NNC=N1)C1=CC=CO1
Độ hòa tan
9.41e-02 g/l
logP
3.52
logS
-3.6
pKa (strongest acidic)
9.75
pKa (Strongest Basic)
1.67
PSA
112.49 Å2
Refractivity
117.03 m3·mol-1
Polarizability
38.32 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
5
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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