SMILES:
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1ccc(CCCCCCCCBr)cc1Molecular Processing
Molecular formula
C31H44BrN5O2
Molecular weight
598.63
Exact mass
597.2678
XLogP
6.81
TPSA
81.07
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
15
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.581
Molar refractivity
162.86
Supplementary Information
Obteniendo detalles…
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