CC(=O)N1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1
SMILES: CC(=O)N1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1

Molecular Processing

Molecular formula
C33H40N6O
Molecular weight
536.72
Exact mass
536.3264
XLogP
5.98
TPSA
68.36
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
40
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.424
Molar refractivity
163.15

Supplementary Information

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