N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide
Thuốc Gốc
Small Molecule
CTHH: C18H16N4O3S
PTK: 368.41
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
368.41
Monoisotopic mass
368.094311088
InChI
InChI=1S/C18H16N4O3S/c23-17(20-25)14-6-7-15(26-14)18(24)21-8-9-22-13(10-19-16(22)11-21)12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,20,23)
InChI Key
InChIKey=SMSIXMLQOONOQQ-UHFFFAOYSA-N
IUPAC Name
N-hydroxy-5-({3-phenyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-7-yl}carbonyl)thiophene-2-carboxamide
Traditional IUPAC Name
N-hydroxy-5-({3-phenyl-5H,6H,8H-imidazo[1,2-a]pyrazin-7-yl}carbonyl)thiophene-2-carboxamide
SMILES
ONC(=O)C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1
Độ hòa tan
3.46e-01 g/l
logP
1.46
logS
-3
pKa (strongest acidic)
8.93
pKa (Strongest Basic)
5.69
PSA
87.46 Å2
Refractivity
97.28 m3·mol-1
Polarizability
38.73 Å3
Rotatable Bond Count
3
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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