SMILES:
O=C(NCCOC1CCCCO1)Nc1ccc2nc(NC3CCc4ccccc43)ccc2c1Molecular Processing
Molecular formula
C26H30N4O3
Molecular weight
446.55
Exact mass
446.2318
XLogP
5
TPSA
84.51
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
129.43
Supplementary Information
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