2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER
Thuốc Gốc
Small Molecule
CTHH: C18H20N4O2S2
PTK: 388.507
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
388.507
Monoisotopic mass
388.102767284
InChI
InChI=1S/C18H20N4O2S2/c1-2-24-17(23)14-11-26-18(20-14)22-9-7-21(8-10-22)16-12-25-15-6-4-3-5-13(15)19-16/h3-6,11H,2,7-10,12H2,1H3
InChI Key
InChIKey=AQJQFCRTSWIUCY-UHFFFAOYSA-N
IUPAC Name
ethyl 2-[4-(2H-1,4-benzothiazin-3-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylate
Traditional IUPAC Name
ethyl 2-[4-(2H-1,4-benzothiazin-3-yl)piperazin-1-yl]-1,3-thiazole-4-carboxylate
SMILES
CCOC(=O)C1=CSC(=N1)N1CCN(CC1)C1=NC2=CC=CC=C2SC1
Độ hòa tan
1.18e-01 g/l
logP
3.27
logS
-3.5
pKa (Strongest Basic)
5.55
PSA
58.03 Å2
Refractivity
107.38 m3·mol-1
Polarizability
41.96 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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