SMILES:
O=C(NC(CO)c1nc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CC=CC2)c(Br)c1Molecular Processing
Molecular formula
C21H18BrClN4O3
Molecular weight
489.76
Exact mass
488.0251
XLogP
3.45
TPSA
98.32
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
117.58
Supplementary Information
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