Name: Title compound
SMILES:
O=C(CNC(=O)C1CC2(CC2)CN1C(=O)OCc1ccccc1)c1ccc2cc(Br)ccc2c1Molecular Processing
Molecular formula
C27H25BrN2O4
Molecular weight
521.41
Exact mass
520.0998
XLogP
5.09
TPSA
75.71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
132.39
Supplementary Information
Details werden geladen…
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