N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE
Thuốc Gốc
Small Molecule
CTHH: C18H14ClN3O4
PTK: 371.774
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
371.774
Monoisotopic mass
371.067283658
InChI
InChI=1S/C18H14ClN3O4/c1-9(23)10-2-4-11(5-3-10)21-18(26)13-8-20-22-17(13)12-6-14(19)16(25)7-15(12)24/h2-8,24-25H,1H3,(H,20,22)(H,21,26)
InChI Key
InChIKey=BTTFXKUTBNGQTP-UHFFFAOYSA-N
IUPAC Name
N-(4-acetylphenyl)-5-(5-chloro-2,4-dihydroxyphenyl)-1H-pyrazole-4-carboxamide
Traditional IUPAC Name
N-(4-acetylphenyl)-3-(5-chloro-2,4-dihydroxyphenyl)-2H-pyrazole-4-carboxamide
SMILES
CC(=O)C1=CC=C(NC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1
Độ hòa tan
2.86e-02 g/l
logP
2.49
logS
-4.1
pKa (strongest acidic)
7.53
pKa (Strongest Basic)
1.01
PSA
115.31 Å2
Refractivity
99.46 m3·mol-1
Polarizability
35.85 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
4
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
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading