SMILES:
Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)c2oc(-c3ccco3)nc2c1C#NMolecular Processing
Molecular formula
C25H24N4O2
Molecular weight
412.49
Exact mass
412.1899
XLogP
5.08
TPSA
69.44
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
120.9
Supplementary Information
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