SMILES:
CN1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(Br)cc43)cc2)CC1Molecular Processing
Molecular formula
C21H21BrN4O2
Molecular weight
441.33
Exact mass
440.0848
XLogP
2.92
TPSA
64.68
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
114.37
Supplementary Information
Details werden geladen…
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