SMILES:
O=C(NCC(=O)N1CCC(Oc2ccccc2Br)CC1)c1ccc(Nc2ccccc2)cc1Molecular Processing
Molecular formula
C26H26BrN3O3
Molecular weight
508.42
Exact mass
507.1158
XLogP
4.99
TPSA
70.67
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
132.87
Supplementary Information
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