SMILES:
Cc1ccc2c(c1)Nc1c(cnn1C)CN2C(=O)C1CCC(CN)CC1Molecular Processing
Molecular formula
C20H27N5O
Molecular weight
353.47
Exact mass
353.2216
XLogP
3.08
TPSA
76.18
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
103.36
Supplementary Information
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