1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE
Thuốc Gốc
Small Molecule
CTHH: C24H33N3O2
PTK: 395.5377
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
395.5377
Monoisotopic mass
395.257277315
InChI
InChI=1S/C24H33N3O2/c28-22(18-26-14-16-27(17-15-26)24-8-4-5-13-25-24)19-29-23-11-9-21(10-12-23)20-6-2-1-3-7-20/h4-5,8-13,20,22,28H,1-3,6-7,14-19H2/t22-/m0/s1
InChI Key
InChIKey=BZJHCQBNFUNZPJ-QFIPXVFZSA-N
IUPAC Name
(2S)-1-(4-cyclohexylphenoxy)-3-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-ol
Traditional IUPAC Name
(2S)-1-(4-cyclohexylphenoxy)-3-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-ol
SMILES
[H][C@@](O)(COC1=CC=C(C=C1)C1CCCCC1)CN1CCN(CC1)C1=CC=CC=N1
Độ hòa tan
1.90e-01 g/l
logP
4.43
logS
-3.3
pKa (strongest acidic)
14.08
pKa (Strongest Basic)
7.25
PSA
48.83 Å2
Refractivity
117.4 m3·mol-1
Polarizability
46.2 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
5
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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