CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CNC3)ccc2n1
SMILES: CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CNC3)ccc2n1

Molecular Processing

Molecular formula
C25H29N7O
Molecular weight
443.56
Exact mass
443.2434
XLogP
3.09
TPSA
80.99
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
33
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
129.15

Supplementary Information

Details werden geladen…

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