SMILES:
Cc1ccc(-c2cnn(C)c2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ncccc2C)c1Molecular Processing
Molecular formula
C25H31N5O
Molecular weight
417.56
Exact mass
417.2529
XLogP
4.45
TPSA
63.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
124.07
Supplementary Information
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