SMILES:
COC(=O)C(Cc1ccc(-c2ccccc2Oc2ccccc2)cc1)NC(=O)c1cc(Br)ccc1OCCN1CCOCC1Molecular Processing
Molecular formula
C35H35BrN2O6
Molecular weight
659.58
Exact mass
658.1678
XLogP
6.13
TPSA
86.33
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
44
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.257
Molar refractivity
172.26
Supplementary Information
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