COc1cc([C@H]2CCN(CCOC(=O)c3ccc(Br)cc3)C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1
SMILES: COc1cc([C@H]2CCN(CCOC(=O)c3ccc(Br)cc3)C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1

Molecular Processing

Molecular formula
C34H34BrN5O5
Molecular weight
672.58
Exact mass
671.1743
XLogP
5.93
TPSA
110.45
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
45
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.265
Molar refractivity
175.48

Supplementary Information

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