SMILES:
CC(C)(C)OC(=O)N1CC2CN(c3ccc(-c4ccc(N)cc4)nn3)CC2C1Molecular Processing
Molecular formula
C21H27N5O2
Molecular weight
381.48
Exact mass
381.2165
XLogP
3.03
TPSA
84.58
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
108.88
Supplementary Information
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