N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
Thuốc Gốc
Small Molecule
CTHH: C26H26N2O2
PTK: 398.4968
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
398.4968
Monoisotopic mass
398.199428086
InChI
InChI=1S/C26H26N2O2/c1-18(11-12-19-13-15-21(29)16-14-19)27-25(30)17-23-22-9-5-6-10-24(22)28-26(23)20-7-3-2-4-8-20/h2-10,13-16,18,28-29H,11-12,17H2,1H3,(H,27,30)/t18-/m1/s1
InChI Key
InChIKey=APLJSSOXDWUNGV-GOSISDBHSA-N
IUPAC Name
N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-(2-phenyl-1H-indol-3-yl)acetamide
Traditional IUPAC Name
N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-(2-phenyl-1H-indol-3-yl)acetamide
SMILES
[H][C@@](C)(CCC1=CC=C(O)C=C1)NC(=O)CC1=C(NC2=C1C=CC=C2)C1=CC=CC=C1
Độ hòa tan
3.22e-04 g/l
logP
5.26
logS
-6.1
pKa (strongest acidic)
9.51
pKa (Strongest Basic)
-1.7
PSA
65.12 Å2
Refractivity
120.55 m3·mol-1
Polarizability
44.86 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
2
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Ghose Filter
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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