SMILES:
CN1CCN(C(=O)CCCNC(=O)Nc2nc3ccc(Br)cc3s2)CC1Molecular Processing
Molecular formula
C17H22BrN5O2S
Molecular weight
440.37
Exact mass
439.0678
XLogP
2.73
TPSA
77.57
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
107.65
Supplementary Information
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