3-[(5s)-1-Acetyl-3-(2-Chlorophenyl)-4,5-Dihydro-1h-Pyrazol-5-Yl]Phenol
Thuốc Gốc
Small Molecule
CTHH: C17H15ClN2O2
PTK: 314.766
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
314.766
Monoisotopic mass
314.082205441
InChI
InChI=1S/C17H15ClN2O2/c1-11(21)20-17(12-5-4-6-13(22)9-12)10-16(19-20)14-7-2-3-8-15(14)18/h2-9,17,22H,10H2,1H3/t17-/m0/s1
InChI Key
InChIKey=QBZAPFWYAPXRGQ-KRWDZBQOSA-N
IUPAC Name
1-[(5S)-3-(2-chlorophenyl)-5-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Traditional IUPAC Name
1-[(5S)-3-(2-chlorophenyl)-5-(3-hydroxyphenyl)-4,5-dihydropyrazol-1-yl]ethanone
SMILES
[H][C@]1(CC(=NN1C(C)=O)C1=C(Cl)C=CC=C1)C1=CC=CC(O)=C1
Độ hòa tan
3.22e-02 g/l
logP
3.2
logS
-4
pKa (strongest acidic)
9.4
pKa (Strongest Basic)
0.35
PSA
52.9 Å2
Refractivity
85.49 m3·mol-1
Polarizability
32.24 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
H Bond Donor Count
1
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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