이름: (R,Z)-2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one O-2-morpholinoethyl oxime
SMILES:
Cc1nc(N)nc2c1/C(=N/OCCN1CCOCC1)N[C@@H](c1ccc(F)cc1Br)C2Molecular Processing
Molecular formula
C20H24BrFN6O2
Molecular weight
479.35
Exact mass
478.1128
XLogP
2.17
TPSA
97.89
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
114.61
Supplementary Information
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