SMILES:
O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)[C@@H](Cc1ccccc1)Nc1ccccc1)C2)c1ccccc1.[Br-]Molecular Processing
Molecular formula
C30H33BrN2O3
Molecular weight
549.51
Exact mass
548.1675
XLogP
1.75
TPSA
55.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
36
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
137.1
Supplementary Information
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Involved in 2 reactions→