SMILES:
CC(C)(C)OC(=O)NC1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4ccccc4)c23)C1Molecular Processing
Molecular formula
C24H28BrN5O3
Molecular weight
514.42
Exact mass
513.1376
XLogP
5.07
TPSA
99.35
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
132.79
Supplementary Information
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