(2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACI
Thuốc Gốc
Small Molecule
CTHH: C24H23ClN2O4
PTK: 438.903
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
438.903
Monoisotopic mass
438.134634941
InChI
InChI=1S/C24H23ClN2O4/c1-3-30-22(24(28)29)13-16-8-9-21-17(12-16)10-11-27(21)14-20-15(2)31-23(26-20)18-6-4-5-7-19(18)25/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)/t22-/m0/s1
InChI Key
InChIKey=PAWOPJKHTZCKMT-QFIPXVFZSA-N
IUPAC Name
(2S)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-indol-5-yl)-2-ethoxypropanoic acid
Traditional IUPAC Name
(2S)-3-(1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}indol-5-yl)-2-ethoxypropanoic acid
SMILES
[H][C@@](CC1=CC2=C(C=C1)N(CC1=C(C)OC(=N1)C1=C(Cl)C=CC=C1)C=C2)(OCC)C(O)=O
Độ hòa tan
1.48e-02 g/l
logP
5.08
logS
-4.5
pKa (strongest acidic)
4.02
pKa (Strongest Basic)
0.37
PSA
77.49 Å2
Refractivity
128.8 m3·mol-1
Polarizability
46.95 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
-1
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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