SMILES:
COC(=O)c1ccc(CN(C)C[C@H]2CCCN2Cc2ccc(Oc3ccc(Br)cc3)cc2)cc1Molecular Processing
Molecular formula
C28H31BrN2O3
Molecular weight
523.47
Exact mass
522.1518
XLogP
6.12
TPSA
42.01
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
138.21
Supplementary Information
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