SMILES:
COC(=O)Nc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1.ClMolecular Processing
Molecular formula
C22H28ClN7O2
Molecular weight
457.97
Exact mass
457.1993
XLogP
3.11
TPSA
88.41
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.364
Molar refractivity
126.18
Supplementary Information
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