이름: 1-(3-(bromomethyl)benzyl)-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidine-2,4-dione
SMILES:
Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3cccc(CBr)c3)C2=O)cn1Molecular Processing
Molecular formula
C20H20BrN5O3
Molecular weight
458.32
Exact mass
457.075
XLogP
3.4
TPSA
84.47
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
109.67
Supplementary Information
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