SMILES:
Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)c2oc(N3CCN(C)C(=O)C3)nc2c1C#NMolecular Processing
Molecular formula
C26H30N6O2
Molecular weight
458.57
Exact mass
458.243
XLogP
3.09
TPSA
79.85
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
133.05
Supplementary Information
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