Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1
SMILES: Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1

Molecular Processing

Molecular formula
C33H41N7O
Molecular weight
551.74
Exact mass
551.3373
XLogP
4.92
TPSA
94.38
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
41
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.424
Molar refractivity
166.53

Supplementary Information

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