名称: Intermediate 1C
SMILES:
COC(=O)c1cnc(C)c(NC(=O)c2cnc3cc(Br)ccn23)c1Molecular Processing
Molecular formula
C16H13BrN4O3
Molecular weight
389.21
Exact mass
388.0171
XLogP
2.84
TPSA
85.59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
91.16
Supplementary Information
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