Tìm theo
Br-Coeleneterazine
Thuốc Gốc
Small Molecule
CTHH: C26H22BrN3O4
PTK: 520.375
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C26H22BrN3O4
Phân tử khối
520.375
Monoisotopic mass
519.079368854
InChI
InChI=1S/C26H22BrN3O4/c27-20-10-6-18(7-11-20)15-26(34-33)25(32)30-16-23(19-8-12-21(31)13-9-19)28-22(24(30)29-26)14-17-4-2-1-3-5-17/h1-13,16,22,28,31,33H,14-15H2/t22-,26+/m0/s1
InChI Key
InChIKey=UCEOLAINXJPTDK-BKMJKUGQSA-N
IUPAC Name
(2R,8S)-8-benzyl-2-[(4-bromophenyl)methyl]-2-hydroperoxy-6-(4-hydroxyphenyl)-2H,3H,7H,8H-imidazo[1,2-a]pyrazin-3-one
Traditional IUPAC Name
br-coeleneterazine
SMILES
OO[C@@]1(CC2=CC=C(Br)C=C2)N=C2[C@H](CC3=CC=CC=C3)NC(=CN2C1=O)C1=CC=C(O)C=C1
Độ hòa tan
9.62e-03 g/l
logP
5.07
logS
-4.7
pKa (strongest acidic)
9.5
pKa (Strongest Basic)
4.21
PSA
94.39 Å2
Refractivity
131.38 m3·mol-1
Polarizability
50.86 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
5
Bioavailability
0
MDDR-Like Rule
true
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