4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide
Thuốc Gốc
Small Molecule
CTHH: C24H31ClN2O2
PTK: 414.968
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C24H31ClN2O2
Phân tử khối
414.968
Monoisotopic mass
414.207405953
InChI
InChI=1S/C24H31ClN2O2/c1-29-18-6-16-27(24(28)21-10-12-22(25)13-11-21)23-9-5-15-26(19-23)17-14-20-7-3-2-4-8-20/h2-4,7-8,10-13,23H,5-6,9,14-19H2,1H3/t23-/m0/s1
InChI Key
InChIKey=OOUGHDJEJNMXSV-QHCPKHFHSA-N
IUPAC Name
4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide
Traditional IUPAC Name
4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide
SMILES
[H][C@@]1(CCCN(CCC2=CC=CC=C2)C1)N(CCCOC)C(=O)C1=CC=C(Cl)C=C1
Độ hòa tan
5.89e-03 g/l
logP
4.39
logS
-4.8
pKa (Strongest Basic)
8.5
PSA
32.78 Å2
Refractivity
120.24 m3·mol-1
Polarizability
46.71 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
3
H Bond Donor Count
0
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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