COc1ccc(C(c2ccc(OC)cc2)(c2ccc(OC)cc2)n2cc(-c3ccc(C(OC)C(=O)N(C)OC)cc3)cn2)cc1
SMILES: COc1ccc(C(c2ccc(OC)cc2)(c2ccc(OC)cc2)n2cc(-c3ccc(C(OC)C(=O)N(C)OC)cc3)cn2)cc1

Molecular Processing

Molecular formula
C36H37N3O6
Molecular weight
607.71
Exact mass
607.2682
XLogP
6.12
TPSA
84.28
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
45
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
171.45

Supplementary Information

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