CCCc1nc2c(C)cc(-c3coc(C)n3)cc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1
SMILES: CCCc1nc2c(C)cc(-c3coc(C)n3)cc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

Molecular Processing

Molecular formula
C33H35N3O3
Molecular weight
521.66
Exact mass
521.2678
XLogP
7.93
TPSA
70.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.303
Molar refractivity
154.85

Supplementary Information

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