SMILES:
Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)c2oc(-c3ccccc3N)nc2c1C#NMolecular Processing
Molecular formula
C27H27N5O
Molecular weight
437.55
Exact mass
437.2216
XLogP
5.06
TPSA
82.32
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
33
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
0.259
Molar refractivity
133.05
Supplementary Information
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