SMILES:
CNCc1nnc(-c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)o1Molecular Processing
Molecular formula
C21H22N4O2
Molecular weight
362.43
Exact mass
362.1743
XLogP
3.32
TPSA
80.05
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
103.16
Supplementary Information
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