2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOL-3-YL]-N-[(1R)-1-(HYDROXYMETHYL)PROPYL]ACETAMIDE
Thuốc Gốc
Small Molecule
CTHH: C23H25ClN2O4
PTK: 428.909
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
428.909
Monoisotopic mass
428.150285005
InChI
InChI=1S/C23H25ClN2O4/c1-4-17(13-27)25-22(28)12-19-14(2)26(21-10-9-18(30-3)11-20(19)21)23(29)15-5-7-16(24)8-6-15/h5-11,17,27H,4,12-13H2,1-3H3,(H,25,28)/t17-/m1/s1
InChI Key
InChIKey=GKJWXEORYGBJFS-QGZVFWFLSA-N
IUPAC Name
2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}-N-[(2R)-1-hydroxybutan-2-yl]acetamide
Traditional IUPAC Name
2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methylindol-3-yl}-N-[(2R)-1-hydroxybutan-2-yl]acetamide
SMILES
[H][C@@](CC)(CO)NC(=O)CC1=C(C)N(C(=O)C2=CC=C(Cl)C=C2)C2=CC=C(OC)C=C12
Độ hòa tan
3.71e-03 g/l
logP
3.2
logS
-5.1
pKa (strongest acidic)
14.63
pKa (Strongest Basic)
-1.4
PSA
80.56 Å2
Refractivity
116.76 m3·mol-1
Polarizability
45.66 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
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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