(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one
Thuốc Gốc
Small Molecule
CTHH: C15H11BrClNO2S
PTK: 384.675
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H11BrClNO2S
Phân tử khối
384.675
Monoisotopic mass
382.938239645
InChI
InChI=1S/C15H11BrClNO2S/c16-10-3-1-2-9(6-10)15-18(14(20)8-21-15)12-7-11(17)4-5-13(12)19/h1-7,15,19H,8H2/t15-/m0/s1
InChI Key
InChIKey=KEGQNJITMFBVAC-HNNXBMFYSA-N
IUPAC Name
(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one
Traditional IUPAC Name
(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILES
[H][C@]1(SCC(=O)N1C1=CC(Cl)=CC=C1O)C1=CC=CC(Br)=C1
Độ hòa tan
5.61e-03 g/l
logP
4.25
logS
-4.8
pKa (strongest acidic)
8.11
pKa (Strongest Basic)
-6.2
PSA
40.54 Å2
Refractivity
88.55 m3·mol-1
Polarizability
32.96 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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