SMILES:
CC(=O)N(C)c1nc2c(C#N)c(C)c(-c3ccccc3)c(N3CC[C@H](N(C)C)C3)c2o1Molecular Processing
Molecular formula
C24H27N5O2
Molecular weight
417.51
Exact mass
417.2165
XLogP
3.8
TPSA
76.61
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
122.29
Supplementary Information
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