SMILES:
CC(=O)N(CCC1CCCCN1c1ccnc(-n2ccnc2)n1)Cc1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C24H28N6O3
Molecular weight
448.53
Exact mass
448.2223
XLogP
3.19
TPSA
85.61
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
122.41
Supplementary Information
Récupération des détails…
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