SMILES:
Nc1nc2ccccc2c2c1ncn2CCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1Molecular Processing
Molecular formula
C24H25N5O
Molecular weight
399.5
Exact mass
399.2059
XLogP
3.87
TPSA
85.83
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
118.98
Supplementary Information
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