(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
Thuốc Gốc
Small Molecule
CTHH: C18H22N2O2
PTK: 298.3795
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H22N2O2
Phân tử khối
298.3795
Monoisotopic mass
298.168127958
InChI
InChI=1S/C18H22N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10,18,21H,1-2,11-14H2/t18-/m1/s1
InChI Key
InChIKey=QQRJWLDQBNAQCC-GOSISDBHSA-N
IUPAC Name
(R)-pyridin-4-yl({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl})methanol
Traditional IUPAC Name
(R)-pyridin-4-yl({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl})methanol
SMILES
[H][C@](O)(C1=CC=NC=C1)C1=CC=C(OCCN2CCCC2)C=C1
Độ hòa tan
6.82e-01 g/l
logP
2.04
logS
-2.6
pKa (strongest acidic)
13.6
pKa (Strongest Basic)
8.97
PSA
45.59 Å2
Refractivity
87.02 m3·mol-1
Polarizability
33.13 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
1
Number of Rings
3
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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