Tìm theo
5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID
Thuốc Gốc
Small Molecule
CTHH: C10H16N2O3S
PTK: 244.311
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
244.311
Monoisotopic mass
244.088163078
InChI
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9-/m0/s1
InChI Key
InChIKey=YBJHBAHKTGYVGT-OOZYFLPDSA-N
IUPAC Name
5-[(3aS,4R,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanoic acid
Traditional IUPAC Name
5-[(3aS,4R,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl]pentanoic acid
SMILES
[H][[email protected]]12CS[[email protected]]([H])(CCCCC(O)=O)[[email protected]@]1([H])NC(=O)N2
Độ hòa tan
1.22e+00 g/l
logP
0.32
logS
-2.3
pKa (strongest acidic)
4.4
pKa (Strongest Basic)
-1.9
PSA
78.43 Å2
Refractivity
60.05 m3·mol-1
Polarizability
24.94 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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