2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETH
Thuốc Gốc
Small Molecule
CTHH: C19H16F3N3O3S
PTK: 423.409
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
423.409
Monoisotopic mass
423.086446698
InChI
InChI=1S/C19H16F3N3O3S/c20-19(21,22)18(27,28)15-7-6-14(29-15)17(26)24-8-9-25-13(10-23-16(25)11-24)12-4-2-1-3-5-12/h1-7,10,27-28H,8-9,11H2
InChI Key
InChIKey=OFBFUNBBOQCNFX-UHFFFAOYSA-N
IUPAC Name
2,2,2-trifluoro-1-[5-({3-phenyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-7-yl}carbonyl)thiophen-2-yl]ethane-1,1-diol
Traditional IUPAC Name
2,2,2-trifluoro-1-[5-({3-phenyl-5H,6H,8H-imidazo[1,2-a]pyrazin-7-yl}carbonyl)thiophen-2-yl]ethane-1,1-diol
SMILES
OC(O)(C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1)C(F)(F)F
Độ hòa tan
1.16e-01 g/l
logP
2.49
logS
-3.6
pKa (strongest acidic)
7.11
pKa (Strongest Basic)
5.68
PSA
78.59 Å2
Refractivity
99.84 m3·mol-1
Polarizability
40.36 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
2
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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